2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one

C9H14N4O — CID 135408692

IUPAC2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O/c10-9-12-7(5-8(14)13-9)11-6-3-1-2-4-6/h5-6H,1-4H2,(H4,10,11,12,13,14)
InChIKeyXQYIBHPUKPFWDA-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.71
Rot. Bonds2

About 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one

2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one (PubChem CID 135408692) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one
PubChem CID135408692
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O/c10-9-12-7(5-8(14)13-9)11-6-3-1-2-4-6/h5-6H,1-4H2,(H4,10,11,12,13,14)
InChIKeyXQYIBHPUKPFWDA-UHFFFAOYSA-N
XLogP0.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one (CID 135408692) is 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one is Nc1nc(NC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one?
The InChIKey is XQYIBHPUKPFWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9-12-7(5-8(14)13-9)11-6-3-1-2-4-6/h5-6H,1-4H2,(H4,10,11,12,13,14).
What are the key properties of 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one?
2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).