3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol

C19H26N6O — CID 123857210

IUPAC3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)nc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C19H26N6O/c1-2-3-6-14(9-12-26)22-18-17-16(23-19(20)24-18)8-11-25(17)13-15-7-4-5-10-21-15/h4-5,7-8,10-11,14,26H,2-3,6,9,12-13H2,1H3,(H3,20,22,23,24)
InChIKeyCKIWMOHTOZKGQS-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.81
Rot. Bonds9

About 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol

3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol (PubChem CID 123857210) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol
PubChem CID123857210
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)nc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C19H26N6O/c1-2-3-6-14(9-12-26)22-18-17-16(23-19(20)24-18)8-11-25(17)13-15-7-4-5-10-21-15/h4-5,7-8,10-11,14,26H,2-3,6,9,12-13H2,1H3,(H3,20,22,23,24)
InChIKeyCKIWMOHTOZKGQS-UHFFFAOYSA-N
XLogP2.81
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol with MolForge

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Related Compounds

3-[[2-amino-5-(cyclohexylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 123805041
5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 158534510
(2S)-2-[[2-amino-5-[(5-bromo-2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484054
(3S)-3-[[2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 126585750
(3S)-3-[(2-amino-5-benzyl-7-fluoropyrrolo[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-5-benzyl-7-fluoropyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;5-benzyl-7-fluoro-4-N-hexan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2,6-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2,6-dimethoxyphenyl)methyl]-4-N-pentan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 163443524
[4-[[2-amino-4-(butoxyamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]phenyl]methanol
CID 171653891
2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 123655739
5-[[4-(aminomethyl)phenyl]methyl]-4-N-butoxypyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 171654067
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484689
3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
CID 123847940
(3S)-3-[(2-amino-5-benzylpyrimido[5,4-b]indol-4-yl)amino]hexan-1-ol
CID 177265624

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol?
The IUPAC name of 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol (CID 123857210) is 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol.
What is the SMILES notation for 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol?
The canonical SMILES for 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol is CCCCC(CCO)Nc1nc(N)nc2ccn(Cc3ccccn3)c12.
What is the InChIKey of 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol?
The InChIKey is CKIWMOHTOZKGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-3-6-14(9-12-26)22-18-17-16(23-19(20)24-18)8-11-25(17)13-15-7-4-5-10-21-15/h4-5,7-8,10-11,14,26H,2-3,6,9,12-13H2,1H3,(H3,20,22,23,24).
What are the key properties of 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol?
3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol has a molecular weight of 354.46 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol is sourced from PubChem (CID 123857210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).