5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C11H18N4O — CID 136867426

IUPAC5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O/c1-7-3-2-4-8(7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyVWCMPTDEMSADKJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867426) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867426
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O/c1-7-3-2-4-8(7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyVWCMPTDEMSADKJ-UHFFFAOYSA-N
XLogP1.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867426) is 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CC1CCCC1CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VWCMPTDEMSADKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-3-2-4-8(7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).