5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one

C11H16ClN3O — CID 136974194

IUPAC5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCC2CCCC2)c1Cl
InChIInChI=1S/C11H16ClN3O/c12-9-10(14-7-15-11(9)16)13-6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyABDFZRYGOKOKPP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.42
Rot. Bonds4

About 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one (PubChem CID 136974194) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
PubChem CID136974194
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCC2CCCC2)c1Cl
InChIInChI=1S/C11H16ClN3O/c12-9-10(14-7-15-11(9)16)13-6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyABDFZRYGOKOKPP-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975879
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823134
5-chloro-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
CID 136974275
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136980157
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
5-chloro-4-[[2-(chloromethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136971931
5-chloro-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one (CID 136974194) is 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one?
The InChIKey is ABDFZRYGOKOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-9-10(14-7-15-11(9)16)13-6-5-8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one has a molecular weight of 241.72 g/mol, XLogP of 2.42, 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-cyclopentylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).