6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

C21H29N5O — CID 109345330

IUPAC6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3c(C)cccc3C(C)C)ncn2)CC1
InChIInChI=1S/C21H29N5O/c1-5-25-9-11-26(12-10-25)19-13-18(22-14-23-19)21(27)24-20-16(4)7-6-8-17(20)15(2)3/h6-8,13-15H,5,9-12H2,1-4H3,(H,24,27)
InChIKeyAKQLSQYSJJKAKO-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.30
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109345330) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109345330
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3c(C)cccc3C(C)C)ncn2)CC1
InChIInChI=1S/C21H29N5O/c1-5-25-9-11-26(12-10-25)19-13-18(22-14-23-19)21(27)24-20-16(4)7-6-8-17(20)15(2)3/h6-8,13-15H,5,9-12H2,1-4H3,(H,24,27)
InChIKeyAKQLSQYSJJKAKO-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109116550
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858173
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345048
6-(4-ethylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109345359
6-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109345399
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109355509
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109364180
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109345330) is 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is CCN1CCN(c2cc(C(=O)Nc3c(C)cccc3C(C)C)ncn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is AKQLSQYSJJKAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-5-25-9-11-26(12-10-25)19-13-18(22-14-23-19)21(27)24-20-16(4)7-6-8-17(20)15(2)3/h6-8,13-15H,5,9-12H2,1-4H3,(H,24,27).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109345330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).