4-(pentan-2-ylamino)-1H-pyrimidin-6-one

C9H15N3O — CID 136955935

IUPAC4-(pentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)12-8-5-9(13)11-6-10-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyULMHXDLCFNDFPL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.37
Rot. Bonds4

About 4-(pentan-2-ylamino)-1H-pyrimidin-6-one

4-(pentan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136955935) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(pentan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(pentan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136955935
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(pentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)12-8-5-9(13)11-6-10-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyULMHXDLCFNDFPL-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(cyclopentylamino)-1H-pyrimidin-4-one
CID 135408692
6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957051
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957960
4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 137269684
4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137270960

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(pentan-2-ylamino)-1H-pyrimidin-6-one (CID 136955935) is 4-(pentan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(pentan-2-ylamino)-1H-pyrimidin-6-one is CCCC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is ULMHXDLCFNDFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-7(2)12-8-5-9(13)11-6-10-8/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
4-(pentan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).