(2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol

C8H11N5O — CID 139229840

IUPAC(2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol
SMILES[H]/N=c1\ncn(C[C@@H](C)O)c2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-5(14)2-13-4-12-7(9)6-8(13)11-3-10-6/h3-5,9,14H,2H2,1H3,(H,10,11)/b9-7-/t5-/m1/s1
InChIKeyULNYUKOBTPFIDK-MQMLQLMOSA-N
MW193.21 g/mol
LogP-0.38
Rot. Bonds2

About (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol

(2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol (PubChem CID 139229840) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol
PubChem CID139229840
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name(2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol
SMILES[H]/N=c1\ncn(C[C@@H](C)O)c2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-5(14)2-13-4-12-7(9)6-8(13)11-3-10-6/h3-5,9,14H,2H2,1H3,(H,10,11)/b9-7-/t5-/m1/s1
InChIKeyULNYUKOBTPFIDK-MQMLQLMOSA-N
XLogP-0.38
TPSA90.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol?
The IUPAC name of (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol (CID 139229840) is (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol is [H]/N=c1\ncn(C[C@@H](C)O)c2nc[nH]c12.
What is the InChIKey of (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol?
The InChIKey is ULNYUKOBTPFIDK-MQMLQLMOSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-7(9)6-8(13)11-3-10-6/h3-5,9,14H,2H2,1H3,(H,10,11)/b9-7-/t5-/m1/s1.
What are the key properties of (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol?
(2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol has a molecular weight of 193.21 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol is sourced from PubChem (CID 139229840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).