4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one

C13H14ClN3O — CID 136974910

IUPAC4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)c2ccc(Cl)cc2)cc(=O)[nH]1
InChIInChI=1S/C13H14ClN3O/c1-8(10-3-5-11(14)6-4-10)15-12-7-13(18)17-9(2)16-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyWKMIJNYDPQEFAG-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.90
Rot. Bonds3

About 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one

4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136974910) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136974910
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)c2ccc(Cl)cc2)cc(=O)[nH]1
InChIInChI=1S/C13H14ClN3O/c1-8(10-3-5-11(14)6-4-10)15-12-7-13(18)17-9(2)16-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyWKMIJNYDPQEFAG-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
2-{[(4-Chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one
CID 135459601
(R)-2-(3-chlorophenethyl)-3-methyl-6-(2-methylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 45484903
(R)-2-(2-chlorophenethyl)-3-methyl-6-(2-methylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 45484934
2-amino-6-chloro-3-(4-chlorobenzyl)-4(3H)-pyrimidinone
CID 822151
5-Chloro-2-methyl-6-[(2-phenylethyl)amino]pyrimidin-4(1H)-one
CID 135621692
2-(4-Chloro-benzylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 135432878
2-[(4-chlorobenzyl)amino]-6-propyl-4(3H)-pyrimidinone
CID 135459609
2-[(4-Chloro-benzyl)-methyl-amino]-6-trifluoromethyl-pyrimidin-4-ol
CID 136048717
2-[[2-(2-Chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 16290707
2-(4-Chloro-benzylamino)-6-ethyl-pyrimidin-4-ol
CID 135713542
2-(4-Chloro-benzylamino)-6-phenyl-pyrimidin-4-ol
CID 135816280

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one (CID 136974910) is 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(C)c2ccc(Cl)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WKMIJNYDPQEFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(10-3-5-11(14)6-4-10)15-12-7-13(18)17-9(2)16-12/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 263.73 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).