2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol

C17H17N7O — CID 25120412

IUPAC2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C17H17N7O/c1-10(8-25)21-16-14-15(20-9-19-14)23-17(24-16)22-12-4-5-13-11(7-12)3-2-6-18-13/h2-7,9-10,25H,8H2,1H3,(H3,19,20,21,22,23,24)
InChIKeyYBSRXCKXOCDXOE-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.44
Rot. Bonds5

About 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol

2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol (PubChem CID 25120412) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
PubChem CID25120412
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C17H17N7O/c1-10(8-25)21-16-14-15(20-9-19-14)23-17(24-16)22-12-4-5-13-11(7-12)3-2-6-18-13/h2-7,9-10,25H,8H2,1H3,(H3,19,20,21,22,23,24)
InChIKeyYBSRXCKXOCDXOE-UHFFFAOYSA-N
XLogP2.44
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol with MolForge

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Related Compounds

N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine
CID 148807468
2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 117084904
6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 11553684
3-[[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-7H-purin-2-yl]amino]benzamide
CID 69241404
2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
CID 135998458
N-[3-[[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide
CID 69240739
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114785590
(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114986392
6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate
CID 140800648
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol?
The IUPAC name of 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol (CID 25120412) is 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol is CC(CO)Nc1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12.
What is the InChIKey of 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol?
The InChIKey is YBSRXCKXOCDXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-10(8-25)21-16-14-15(20-9-19-14)23-17(24-16)22-12-4-5-13-11(7-12)3-2-6-18-13/h2-7,9-10,25H,8H2,1H3,(H3,19,20,21,22,23,24).
What are the key properties of 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol?
2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol has a molecular weight of 335.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 25120412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).