[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol

C14H18N6O — CID 1971

IUPAC[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESNc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1
InChIInChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)
InChIKeyMCGSCOLBFJQGHM-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.09
Rot. Bonds4

About [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol

[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (PubChem CID 1971) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
PubChem CID1971
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESNc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1
InChIInChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)
InChIKeyMCGSCOLBFJQGHM-UHFFFAOYSA-N
XLogP1.09
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-(2-((6-Amino-9H-purin-9-yl)methylene)cyclopropyl)methanol
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[(1S,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (CID 1971) is [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1.
What is the InChIKey of [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The InChIKey is MCGSCOLBFJQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19).
What are the key properties of [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol has a molecular weight of 286.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 1971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).