N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide

C19H17ClN4O — CID 109255301

IUPACN-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C19H17ClN4O/c1-13-7-8-16(20)9-17(13)24-19-22-11-15(12-23-19)18(25)21-10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyREACXKGTHPZEND-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.11
Rot. Bonds5

About N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide

N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109255301) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
PubChem CID109255301
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C19H17ClN4O/c1-13-7-8-16(20)9-17(13)24-19-22-11-15(12-23-19)18(25)21-10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyREACXKGTHPZEND-UHFFFAOYSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109255356
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255924
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide (CID 109255301) is N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide is Cc1ccc(Cl)cc1Nc1ncc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is REACXKGTHPZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-7-8-16(20)9-17(13)24-19-22-11-15(12-23-19)18(25)21-10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide?
N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).