2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one

C15H16ClN3O2 — CID 136873220

IUPAC2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc(CNC2CC2)cc(=O)[nH]1
InChIInChI=1S/C15H16ClN3O2/c1-21-13-6-9(16)2-5-12(13)15-18-11(7-14(20)19-15)8-17-10-3-4-10/h2,5-7,10,17H,3-4,8H2,1H3,(H,18,19,20)
InChIKeyIIHLWSXURAHFKF-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one

2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136873220) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136873220
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc(CNC2CC2)cc(=O)[nH]1
InChIInChI=1S/C15H16ClN3O2/c1-21-13-6-9(16)2-5-12(13)15-18-11(7-14(20)19-15)8-17-10-3-4-10/h2,5-7,10,17H,3-4,8H2,1H3,(H,18,19,20)
InChIKeyIIHLWSXURAHFKF-UHFFFAOYSA-N
XLogP2.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136873196
4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136888750
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691
4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136852170
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193225
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978185

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one (CID 136873220) is 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one is COc1cc(Cl)ccc1-c1nc(CNC2CC2)cc(=O)[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is IIHLWSXURAHFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-13-6-9(16)2-5-12(13)15-18-11(7-14(20)19-15)8-17-10-3-4-10/h2,5-7,10,17H,3-4,8H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one?
2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 305.76 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136873220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).