N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide

C19H17ClN4O — CID 109257611

IUPACN-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H17ClN4O/c1-24(17-5-3-2-4-6-17)19-22-12-15(13-23-19)18(25)21-11-14-7-9-16(20)10-8-14/h2-10,12-13H,11H2,1H3,(H,21,25)
InChIKeyXURGDYUKILDJFK-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109257611) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
PubChem CID109257611
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H17ClN4O/c1-24(17-5-3-2-4-6-17)19-22-12-15(13-23-19)18(25)21-11-14-7-9-16(20)10-8-14/h2-10,12-13H,11H2,1H3,(H,21,25)
InChIKeyXURGDYUKILDJFK-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256126
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
2-[benzyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257599
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109258023
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109257591
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109257644
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide (CID 109257611) is N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide is CN(c1ccccc1)c1ncc(C(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is XURGDYUKILDJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-24(17-5-3-2-4-6-17)19-22-12-15(13-23-19)18(25)21-11-14-7-9-16(20)10-8-14/h2-10,12-13H,11H2,1H3,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).