5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one

C10H14ClN3O — CID 136977342

IUPAC5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Cl)C1CCC1
InChIInChI=1S/C10H14ClN3O/c1-6(7-3-2-4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyJMNCMMXCDQAVKN-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.02
Rot. Bonds3

About 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one

5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one (PubChem CID 136977342) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
PubChem CID136977342
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Cl)C1CCC1
InChIInChI=1S/C10H14ClN3O/c1-6(7-3-2-4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyJMNCMMXCDQAVKN-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973911
5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one
CID 137263738
5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136989298
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136974772
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136956697

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one (CID 136977342) is 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1Cl)C1CCC1.
What is the InChIKey of 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one?
The InChIKey is JMNCMMXCDQAVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6(7-3-2-4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one has a molecular weight of 227.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136977342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).