2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one

C15H23N3O — CID 136780162

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NCCC2=CCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-11(2)13-10-14(19)18-15(17-13)16-9-8-12-6-4-3-5-7-12/h6,10-11H,3-5,7-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPUZNCIGZZPYTQD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one

2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136780162) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136780162
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NCCC2=CCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-11(2)13-10-14(19)18-15(17-13)16-9-8-12-6-4-3-5-7-12/h6,10-11H,3-5,7-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPUZNCIGZZPYTQD-UHFFFAOYSA-N
XLogP3.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136849718
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 107845996
2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779642
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193809
6-amino-2-[2-(cyclopenten-1-yl)ethylamino]-3H-quinazolin-4-one
CID 136757307
3-[2-(cyclohexen-1-yl)ethylamino]-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136780178
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
7-[2-(cyclohexen-1-yl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281799
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136780162) is 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(NCCC2=CCCCC2)n1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PUZNCIGZZPYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)13-10-14(19)18-15(17-13)16-9-8-12-6-4-3-5-7-12/h6,10-11H,3-5,7-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 261.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136780162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).