2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine

C102H103N35O11 — CID 159194317

IUPAC2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine
SMILESC=CCNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2C1CC(O)C(CO)O1.C=CCNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2C1OC(CO)C(O)C1O.C=CCNc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12.OCC1OC(n2cnc3c(N4CCCC4)nc(Nc4ccc5ncccc5c4)nc32)C(O)C1O.c1cnc2ccc(Nc3nc(N4CCCC4)c4[nH]cnc4n3)cc2c1
InChIInChI=1S/C23H25N7O4.C22H23N7O4.C22H23N7O3.C18H17N7.C17H15N7/c31-11-16-18(32)19(33)22(34-16)30-12-25-17-20(29-8-1-2-9-29)27-23(28-21(17)30)26-14-5-6-15-13(10-14)4-3-7-24-15;1-2-7-24-19-16-20(29(11-25-16)21-18(32)17(31)15(10-30)33-21)28-22(27-19)26-13-5-6-14-12(9-13)4-3-8-23-14;1-2-7-24-20-19-21(29(12-25-19)18-10-16(31)17(11-30)32-18)28-22(27-20)26-14-5-6-15-13(9-14)4-3-8-23-15;1-2-9-25(8-1)17-15-16(21-11-20-15)23-18(24-17)22-13-5-6-14-12(10-13)4-3-7-19-14;1-2-7-19-15-14-16(21-10-20-14)24-17(23-15)22-12-5-6-13-11(9-12)4-3-8-18-13/h3-7,10,12,16,18-19,22,31-33H,1-2,8-9,11H2,(H,26,27,28);2-6,8-9,11,15,17-18,21,30-32H,1,7,10H2,(H2,24,26,27,28);2-6,8-9,12,16-18,30-31H,1,7,10-11H2,(H2,24,26,27,28);3-7,10-11H,1-2,8-9H2,(H2,20,21,22,23,24);2-6,8-10H,1,7H2,(H3,19,20,21,22,23,24)
InChIKeyKOLWLPJGTGQANY-UHFFFAOYSA-N
MW1995.18 g/mol
LogP11.50
Rot. Bonds27

About 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine

2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine (PubChem CID 159194317) has the molecular formula C102H103N35O11 and a molecular weight of 1995.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine
PubChem CID159194317
Molecular FormulaC102H103N35O11
Molecular Weight1995.18 g/mol
Exact Mass1993.86
IUPAC Name2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine
SMILESC=CCNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2C1CC(O)C(CO)O1.C=CCNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2C1OC(CO)C(O)C1O.C=CCNc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12.OCC1OC(n2cnc3c(N4CCCC4)nc(Nc4ccc5ncccc5c4)nc32)C(O)C1O.c1cnc2ccc(Nc3nc(N4CCCC4)c4[nH]cnc4n3)cc2c1
InChIInChI=1S/C23H25N7O4.C22H23N7O4.C22H23N7O3.C18H17N7.C17H15N7/c31-11-16-18(32)19(33)22(34-16)30-12-25-17-20(29-8-1-2-9-29)27-23(28-21(17)30)26-14-5-6-15-13(10-14)4-3-7-24-15;1-2-7-24-19-16-20(29(11-25-16)21-18(32)17(31)15(10-30)33-21)28-22(27-19)26-13-5-6-14-12(9-13)4-3-8-23-14;1-2-7-24-20-19-21(29(12-25-19)18-10-16(31)17(11-30)32-18)28-22(27-20)26-14-5-6-15-13(9-14)4-3-8-23-15;1-2-9-25(8-1)17-15-16(21-11-20-15)23-18(24-17)22-13-5-6-14-12(10-13)4-3-7-19-14;1-2-7-19-15-14-16(21-10-20-14)24-17(23-15)22-12-5-6-13-11(9-12)4-3-8-18-13/h3-7,10,12,16,18-19,22,31-33H,1-2,8-9,11H2,(H,26,27,28);2-6,8-9,11,15,17-18,21,30-32H,1,7,10H2,(H2,24,26,27,28);2-6,8-9,12,16-18,30-31H,1,7,10-11H2,(H2,24,26,27,28);3-7,10-11H,1-2,8-9H2,(H2,20,21,22,23,24);2-6,8-10H,1,7H2,(H3,19,20,21,22,23,24)
InChIKeyKOLWLPJGTGQANY-UHFFFAOYSA-N
XLogP11.50
TPSA596.42 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001995.18
LogP ≤ 511.50
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine with MolForge

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Related Compounds

2-[6-(cyclobutylamino)-2-(quinolin-6-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 58774174
(3R,4S,5R)-2-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 90702412
(3R,4S,5R)-2-[2-anilino-6-(cyclopropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874233
9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(prop-2-enylamino)-1H-purin-6-one
CID 135471436
2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 25120412
N-(furan-2-ylmethyl)-7H-purin-6-amine;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
CID 67324836
(3R,4S,5R)-2-[2-anilino-6-[[2-(3,5-dimethoxyphenyl)-2-phenylethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874163
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(6-piperidin-1-ylpurin-9-yl)oxolane-3,4-diol
CID 928080
(2R,3R,4S,5R)-2-[2,6-bis(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585185
(2R,3R,4S,5R)-2-[2,6-bis(cyclopropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585168
N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine
CID 148807468
(2R,3R,4S,5R)-2-[2-chloro-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 59035052

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine?
The IUPAC name of 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine (CID 159194317) is 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine.
What is the SMILES notation for 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine?
The canonical SMILES for 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine is C=CCNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2C1CC(O)C(CO)O1.C=CCNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2C1OC(CO)C(O)C1O.C=CCNc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12.OCC1OC(n2cnc3c(N4CCCC4)nc(Nc4ccc5ncccc5c4)nc32)C(O)C1O.c1cnc2ccc(Nc3nc(N4CCCC4)c4[nH]cnc4n3)cc2c1.
What is the InChIKey of 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine?
The InChIKey is KOLWLPJGTGQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4.C22H23N7O4.C22H23N7O3.C18H17N7.C17H15N7/c31-11-16-18(32)19(33)22(34-16)30-12-25-17-20(29-8-1-2-9-29)27-23(28-21(17)30)26-14-5-6-15-13(10-14)4-3-7-24-15;1-2-7-24-19-16-20(29(11-25-16)21-18(32)17(31)15(10-30)33-21)28-22(27-19)26-13-5-6-14-12(9-13)4-3-8-23-14;1-2-7-24-20-19-21(29(12-25-19)18-10-16(31)17(11-30)32-18)28-22(27-20)26-14-5-6-15-13(9-14)4-3-8-23-15;1-2-9-25(8-1)17-15-16(21-11-20-15)23-18(24-17)22-13-5-6-14-12(10-13)4-3-7-19-14;1-2-7-19-15-14-16(21-10-20-14)24-17(23-15)22-12-5-6-13-11(9-12)4-3-8-18-13/h3-7,10,12,16,18-19,22,31-33H,1-2,8-9,11H2,(H,26,27,28);2-6,8-9,11,15,17-18,21,30-32H,1,7,10H2,(H2,24,26,27,28);2-6,8-9,12,16-18,30-31H,1,7,10-11H2,(H2,24,26,27,28);3-7,10-11H,1-2,8-9H2,(H2,20,21,22,23,24);2-6,8-10H,1,7H2,(H3,19,20,21,22,23,24).
What are the key properties of 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine?
2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine has a molecular weight of 1995.18 g/mol, XLogP of 11.50, 27 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;2-(hydroxymethyl)-5-[6-(prop-2-enylamino)-2-(quinolin-6-ylamino)purin-9-yl]oxolan-3-ol;2-(hydroxymethyl)-5-[6-pyrrolidin-1-yl-2-(quinolin-6-ylamino)purin-9-yl]oxolane-3,4-diol;6-N-prop-2-enyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine;N-(6-pyrrolidin-1-yl-7H-purin-2-yl)quinolin-6-amine is sourced from PubChem (CID 159194317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).