N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide

C20H24N6O — CID 110244287

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC(C)c3cnn(C)c3C)c(C)n2)cc1
InChIInChI=1S/C20H24N6O/c1-12-6-8-16(9-7-12)25-20-21-10-18(14(3)24-20)19(27)23-13(2)17-11-22-26(5)15(17)4/h6-11,13H,1-5H3,(H,23,27)(H,21,24,25)
InChIKeyHZFAUUCBRXDQTD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide (PubChem CID 110244287) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide
PubChem CID110244287
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC(C)c3cnn(C)c3C)c(C)n2)cc1
InChIInChI=1S/C20H24N6O/c1-12-6-8-16(9-7-12)25-20-21-10-18(14(3)24-20)19(27)23-13(2)17-11-22-26(5)15(17)4/h6-11,13H,1-5H3,(H,23,27)(H,21,24,25)
InChIKeyHZFAUUCBRXDQTD-UHFFFAOYSA-N
XLogP3.37
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852899
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852900
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
CID 19469091
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-difluorobenzamide
CID 94802139
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide (CID 110244287) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NC(C)c3cnn(C)c3C)c(C)n2)cc1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is HZFAUUCBRXDQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-6-8-16(9-7-12)25-20-21-10-18(14(3)24-20)19(27)23-13(2)17-11-22-26(5)15(17)4/h6-11,13H,1-5H3,(H,23,27)(H,21,24,25).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(4-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 110244287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).