4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one

C14H13Cl2N3O — CID 136888750

IUPAC4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CC2)nc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C14H13Cl2N3O/c15-9-3-8(4-10(16)5-9)14-18-12(6-13(20)19-14)7-17-11-1-2-11/h3-6,11,17H,1-2,7H2,(H,18,19,20)
InChIKeyKEZCTCJCQRBJHP-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.00
Rot. Bonds4

About 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one

4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one (PubChem CID 136888750) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
PubChem CID136888750
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CC2)nc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C14H13Cl2N3O/c15-9-3-8(4-10(16)5-9)14-18-12(6-13(20)19-14)7-17-11-1-2-11/h3-6,11,17H,1-2,7H2,(H,18,19,20)
InChIKeyKEZCTCJCQRBJHP-UHFFFAOYSA-N
XLogP3.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 136873220
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136852170
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740718
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114879196
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740724
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
2-(4-bromo-3,5-dimethylphenyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136986915

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one (CID 136888750) is 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one is O=c1cc(CNC2CC2)nc(-c2cc(Cl)cc(Cl)c2)[nH]1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is KEZCTCJCQRBJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-9-3-8(4-10(16)5-9)14-18-12(6-13(20)19-14)7-17-11-1-2-11/h3-6,11,17H,1-2,7H2,(H,18,19,20).
What are the key properties of 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 310.18 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).