5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one

C13H20ClN3O — CID 136975879

IUPAC5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CCNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H20ClN3O/c1-9-2-4-10(5-3-9)6-7-15-12-11(14)13(18)17-8-16-12/h8-10H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyJBTWYYBMEKOJFS-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.05
Rot. Bonds4

About 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136975879) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136975879
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CCNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H20ClN3O/c1-9-2-4-10(5-3-9)6-7-15-12-11(14)13(18)17-8-16-12/h8-10H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyJBTWYYBMEKOJFS-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977852
4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136980157
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-chloro-4-[(4-ethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136974790
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
5-chloro-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978823
5-chloro-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
CID 136974275
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one (CID 136975879) is 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one is CC1CCC(CCNc2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is JBTWYYBMEKOJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-2-4-10(5-3-9)6-7-15-12-11(14)13(18)17-8-16-12/h8-10H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 269.78 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).