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

C12H21N3O — CID 136956491

IUPAC4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C12H21N3O/c1-9(2)5-4-6-10(3)15-11-7-12(16)14-8-13-11/h7-10H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyLSAZVPRODYPZOB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.40
Rot. Bonds6

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

4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956491) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956491
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C12H21N3O/c1-9(2)5-4-6-10(3)15-11-7-12(16)14-8-13-11/h7-10H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyLSAZVPRODYPZOB-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
3-Methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one
CID 138058019
2-(8-methylnonylamino)-1H-pyrimidin-6-one
CID 67606113
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
5-iodo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701815

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one (CID 136956491) is 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one is CC(C)CCCC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is LSAZVPRODYPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)5-4-6-10(3)15-11-7-12(16)14-8-13-11/h7-10H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).