4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one

C15H23N3O — CID 136973649

IUPAC4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCCCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O/c19-14-10-13(17-15(18-14)11-8-9-11)16-12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H2,16,17,18,19)
InChIKeyAFMOUGKLCXKBQO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds3

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

4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136973649) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136973649
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCCCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O/c19-14-10-13(17-15(18-14)11-8-9-11)16-12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H2,16,17,18,19)
InChIKeyAFMOUGKLCXKBQO-UHFFFAOYSA-N
XLogP3.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955900
4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973651
2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976656
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958612
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 136976212
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136973649) is 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(NC2CCCCCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is AFMOUGKLCXKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-14-10-13(17-15(18-14)11-8-9-11)16-12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H2,16,17,18,19).
What are the key properties of 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 261.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).