2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

C30H37ClN12O4 — CID 167600716

IUPAC2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
SMILESCn1cnc(Nc2nc(Cl)nc3ccoc23)c1.Cn1cnc(Nc2nc(N3CCC[C@H]3CO)nc3ccoc23)c1.OC[C@@H]1CCCN1
InChIInChI=1S/C15H18N6O2.C10H8ClN5O.C5H11NO/c1-20-7-12(16-9-20)18-14-13-11(4-6-23-13)17-15(19-14)21-5-2-3-10(21)8-22;1-16-4-7(12-5-16)14-9-8-6(2-3-17-8)13-10(11)15-9;7-4-5-2-1-3-6-5/h4,6-7,9-10,22H,2-3,5,8H2,1H3,(H,17,18,19);2-5H,1H3,(H,13,14,15);5-7H,1-4H2/t10-;;5-/m0.0/s1
InChIKeyJRTGENALQRZFJO-ISEAHLLXSA-N
MW665.16 g/mol
LogP3.74
Rot. Bonds7

About 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167600716) has the molecular formula C30H37ClN12O4 and a molecular weight of 665.16 g/mol. Its IUPAC name is 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID167600716
Molecular FormulaC30H37ClN12O4
Molecular Weight665.16 g/mol
Exact Mass664.27
IUPAC Name2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
SMILESCn1cnc(Nc2nc(Cl)nc3ccoc23)c1.Cn1cnc(Nc2nc(N3CCC[C@H]3CO)nc3ccoc23)c1.OC[C@@H]1CCCN1
InChIInChI=1S/C15H18N6O2.C10H8ClN5O.C5H11NO/c1-20-7-12(16-9-20)18-14-13-11(4-6-23-13)17-15(19-14)21-5-2-3-10(21)8-22;1-16-4-7(12-5-16)14-9-8-6(2-3-17-8)13-10(11)15-9;7-4-5-2-1-3-6-5/h4,6-7,9-10,22H,2-3,5,8H2,1H3,(H,17,18,19);2-5H,1H3,(H,13,14,15);5-7H,1-4H2/t10-;;5-/m0.0/s1
InChIKeyJRTGENALQRZFJO-ISEAHLLXSA-N
XLogP3.74
TPSA193.27 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.16
LogP ≤ 53.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
CID 142498070
2-chloro-7-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol
CID 167642372
3-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]furo[3,2-d]pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxylic acid
CID 67261869
2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;[(2R)-pyrrolidin-2-yl]methanol;[(2R)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 167569773
2-chloro-N-[1-(4-fluorophenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;2,4-dichlorothieno[2,3-d]pyrimidine;1-(4-fluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
CID 167550983
2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane
CID 142498170
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,3-dihydro-1,4-benzodioxin-6-amine;1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitroimidazole;1,4-dinitroimidazole;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol
CID 167678845
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazoline-7-carbonitrile
CID 137363652
[(2S)-1-[2-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]furo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 137363576
[(2R)-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloroquinazoline;[(2R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167552049
1,3-benzodioxol-5-amine;1-(1,3-benzodioxol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;N-[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(1,3-benzodioxol-5-yl)-4-nitroimidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol
CID 167677569
(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 137363515

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167600716) is 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is Cn1cnc(Nc2nc(Cl)nc3ccoc23)c1.Cn1cnc(Nc2nc(N3CCC[C@H]3CO)nc3ccoc23)c1.OC[C@@H]1CCCN1.
What is the InChIKey of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is JRTGENALQRZFJO-ISEAHLLXSA-N. The full InChI is InChI=1S/C15H18N6O2.C10H8ClN5O.C5H11NO/c1-20-7-12(16-9-20)18-14-13-11(4-6-23-13)17-15(19-14)21-5-2-3-10(21)8-22;1-16-4-7(12-5-16)14-9-8-6(2-3-17-8)13-10(11)15-9;7-4-5-2-1-3-6-5/h4,6-7,9-10,22H,2-3,5,8H2,1H3,(H,17,18,19);2-5H,1H3,(H,13,14,15);5-7H,1-4H2/t10-;;5-/m0.0/s1.
What are the key properties of 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 665.16 g/mol, XLogP of 3.74, 7 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;[(2S)-1-[4-[(1-methylimidazol-4-yl)amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167600716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).