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

C15H25N3O — CID 136973651

IUPAC4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)15-17-13(10-14(19)18-15)16-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyMBNUQAMKKBLBCJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.42
Rot. Bonds3

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

4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973651) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973651
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)15-17-13(10-14(19)18-15)16-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyMBNUQAMKKBLBCJ-UHFFFAOYSA-N
XLogP3.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973804
cis-(1R,3S)-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136876806
4-(cyclopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955900
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
4-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976044
1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136972367
N-cyclopropyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136976813
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-[(2-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136998916
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973651) is 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CCCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MBNUQAMKKBLBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)15-17-13(10-14(19)18-15)16-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).