2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol

C19H25N5O — CID 123655739

IUPAC2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)Nc1nc(N)nc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C19H25N5O/c1-3-13(2)16(12-25)21-18-17-15(22-19(20)23-18)9-10-24(17)11-14-7-5-4-6-8-14/h4-10,13,16,25H,3,11-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyOREAEEVONXRTFI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.88
Rot. Bonds7

About 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol

2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol (PubChem CID 123655739) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol
PubChem CID123655739
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)Nc1nc(N)nc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C19H25N5O/c1-3-13(2)16(12-25)21-18-17-15(22-19(20)23-18)9-10-24(17)11-14-7-5-4-6-8-14/h4-10,13,16,25H,3,11-12H2,1-2H3,(H3,20,21,22,23)
InChIKeyOREAEEVONXRTFI-UHFFFAOYSA-N
XLogP2.88
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol with MolForge

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Related Compounds

5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane
CID 143328515
[4-[[2-amino-4-(butoxyamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]phenyl]methanol
CID 171653891
5-benzyl-4-N-butyl-6-fluoropyrrolo[3,2-d]pyrimidine-2,4-diamine;5-benzyl-4-N-butylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methane
CID 159015249
3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol
CID 123857210
3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 126585719
5-[[4-(aminomethyl)phenyl]methyl]-4-N-(2-ethoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 171654202
5-[[4-(aminomethyl)phenyl]methyl]-4-N-butoxypyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 171654067
(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
5-benzyl-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 126585687
(2S)-2-[[2-amino-5-[(5-bromo-2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484054
[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol
CID 126627800
4-N-[4-[2-[[2-amino-4-(butylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-6-methyl-4-pyridinyl]butyl]-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 126596175

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol (CID 123655739) is 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol is CCC(C)C(CO)Nc1nc(N)nc2ccn(Cc3ccccc3)c12.
What is the InChIKey of 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The InChIKey is OREAEEVONXRTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-13(2)16(12-25)21-18-17-15(22-19(20)23-18)9-10-24(17)11-14-7-5-4-6-8-14/h4-10,13,16,25H,3,11-12H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol?
2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 123655739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).