4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C15H27N3O — CID 136731501

IUPAC4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCC(CCC)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-7-9-12(8-6-2)16-13-10-14(19)18-15(17-13)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyNBKKYDTZVMZNGM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.66
Rot. Bonds8

About 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136731501) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136731501
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCC(CCC)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-7-9-12(8-6-2)16-13-10-14(19)18-15(17-13)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyNBKKYDTZVMZNGM-UHFFFAOYSA-N
XLogP3.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016620
4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805670
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 137016251
2-methyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 137015941
methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate
CID 137007516
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136978373
2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897

Frequently Asked Questions

What is the IUPAC name of 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136731501) is 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CCCCC(CCC)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NBKKYDTZVMZNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-9-12(8-6-2)16-13-10-14(19)18-15(17-13)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136731501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).