N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide

C23H24N4O — CID 42670889

IUPACN-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCC3CC3)c(N(C)c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O/c1-16-7-6-8-18(13-16)21-24-15-20(23(28)25-14-17-11-12-17)22(26-21)27(2)19-9-4-3-5-10-19/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,25,28)
InChIKeyJXWHYHXSNJYXBM-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.36
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide

N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 42670889) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID42670889
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCC3CC3)c(N(C)c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O/c1-16-7-6-8-18(13-16)21-24-15-20(23(28)25-14-17-11-12-17)22(26-21)27(2)19-9-4-3-5-10-19/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,25,28)
InChIKeyJXWHYHXSNJYXBM-UHFFFAOYSA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
CID 42822223
4-[benzyl(methyl)amino]-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 42670820
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864
N-cyclopropyl-4-(dimethylamino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670807
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
CID 42670833
4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 42882431
2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
CID 42670835
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(N,4-dimethylanilino)-2-phenylpyrimidine-5-carboxamide
CID 98640266
4-(N-ethyl-3-methylanilino)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 93135237

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide (CID 42670889) is N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)NCC3CC3)c(N(C)c3ccccc3)n2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is JXWHYHXSNJYXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-7-6-8-18(13-16)21-24-15-20(23(28)25-14-17-11-12-17)22(26-21)27(2)19-9-4-3-5-10-19/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide?
N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).