5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one

C19H17ClFN3O — CID 136780202

IUPAC5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccc(F)cc2)[nH]c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-12-17(10-13-2-6-15(20)7-3-13)18(25)24-19(23-12)22-11-14-4-8-16(21)9-5-14/h2-9H,10-11H2,1H3,(H2,22,23,24,25)
InChIKeyOYEQLYDIQQQRGN-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.07
Rot. Bonds5

About 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one

5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136780202) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
PubChem CID136780202
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccc(F)cc2)[nH]c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-12-17(10-13-2-6-15(20)7-3-13)18(25)24-19(23-12)22-11-14-4-8-16(21)9-5-14/h2-9H,10-11H2,1H3,(H2,22,23,24,25)
InChIKeyOYEQLYDIQQQRGN-UHFFFAOYSA-N
XLogP4.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methyl]-4-methyl-2-(1-phenylethylamino)-1H-pyrimidin-6-one
CID 136779695
5-benzyl-2-(4-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 135633224
2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136779002
5-[(4-chlorophenyl)methyl]-4-methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
CID 135617939
5-benzyl-2-(4-chloro-2-methylanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779025
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
5-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135644716
2-(4-chloroanilino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136740952
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136741055
2-(4-benzhydrylpiperazin-1-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135644686

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one (CID 136780202) is 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one is Cc1nc(NCc2ccc(F)cc2)[nH]c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OYEQLYDIQQQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-12-17(10-13-2-6-15(20)7-3-13)18(25)24-19(23-12)22-11-14-4-8-16(21)9-5-14/h2-9H,10-11H2,1H3,(H2,22,23,24,25).
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 357.82 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136780202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).