(2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol

C8H11N5O2 — CID 135839799

IUPAC(2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol
SMILES[H]/N=c1\ncn(C[C@@H](O)CO)c2nc[nH]c12
InChIInChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3-5,9,14-15H,1-2H2,(H,10,11)/b9-7-/t5-/m1/s1
InChIKeyXNEBSVYACKTMFE-MQMLQLMOSA-N
MW209.21 g/mol
LogP-1.41
Rot. Bonds3

About (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol

(2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol (PubChem CID 135839799) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol
PubChem CID135839799
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name(2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol
SMILES[H]/N=c1\ncn(C[C@@H](O)CO)c2nc[nH]c12
InChIInChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3-5,9,14-15H,1-2H2,(H,10,11)/b9-7-/t5-/m1/s1
InChIKeyXNEBSVYACKTMFE-MQMLQLMOSA-N
XLogP-1.41
TPSA110.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3-(6-imino-7H-purin-3-yl)propan-2-ol
CID 135671347
3-[(2-methylphenyl)methyl]-7H-purin-6-imine
CID 135435061
3-(cyclohexylmethyl)-7H-purin-6-imine
CID 135435073
3-bromo-7H-purin-6-imine
CID 136992972
3-[(3,5-dibromo-4-pyridinyl)methyl]-7H-purin-6-imine
CID 139308666
(2R)-3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol
CID 135750406
3-(quinolin-2-ylmethyl)-7H-purin-6-imine
CID 138740765
2-[9-(6-imino-7H-purin-3-yl)nonanoyl]cyclohexan-1-one
CID 137176205
9-[4-hydroxy-2-(hydroxymethyl)butyl]-1H-purin-6-one
CID 136805824
trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol
CID 136679568
1-(4-benzhydrylpiperazin-1-yl)-3-(8-chloro-6-imino-7H-purin-3-yl)propan-2-ol
CID 135671349
(5aS,7S)-7-[1-(6-imino-7H-purin-3-yl)propan-2-yl]-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
CID 135451386

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
The IUPAC name of (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol (CID 135839799) is (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
The canonical SMILES for (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol is [H]/N=c1\ncn(C[C@@H](O)CO)c2nc[nH]c12.
What is the InChIKey of (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
The InChIKey is XNEBSVYACKTMFE-MQMLQLMOSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3-5,9,14-15H,1-2H2,(H,10,11)/b9-7-/t5-/m1/s1.
What are the key properties of (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
(2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol has a molecular weight of 209.21 g/mol, XLogP of -1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(6-imino-7H-purin-3-yl)propane-1,2-diol is sourced from PubChem (CID 135839799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).