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

C11H19N3O — CID 136956718

IUPAC4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)CC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O/c1-4-8(2)5-9(3)14-10-6-11(15)13-7-12-10/h6-9H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyAMKGCYHGWXIVJH-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.01
Rot. Bonds5

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

4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956718) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956718
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)CC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O/c1-4-8(2)5-9(3)14-10-6-11(15)13-7-12-10/h6-9H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyAMKGCYHGWXIVJH-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.01
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
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one (CID 136956718) is 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one is CCC(C)CC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is AMKGCYHGWXIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-8(2)5-9(3)14-10-6-11(15)13-7-12-10/h6-9H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one?
4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).