N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C21H29N5O — CID 109297333

IUPACN-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C21H29N5O/c1-5-16(3)23-20(27)18-9-10-22-21(24-18)26-13-11-25(12-14-26)19-8-6-7-15(2)17(19)4/h6-10,16H,5,11-14H2,1-4H3,(H,23,27)
InChIKeyRDSQEJYEXISBNZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.95
Rot. Bonds5

About N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109297333) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109297333
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C21H29N5O/c1-5-16(3)23-20(27)18-9-10-22-21(24-18)26-13-11-25(12-14-26)19-8-6-7-15(2)17(19)4/h6-10,16H,5,11-14H2,1-4H3,(H,23,27)
InChIKeyRDSQEJYEXISBNZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321427
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297335
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385
[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109310408
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302442
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321429
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109297333) is N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is RDSQEJYEXISBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-5-16(3)23-20(27)18-9-10-22-21(24-18)26-13-11-25(12-14-26)19-8-6-7-15(2)17(19)4/h6-10,16H,5,11-14H2,1-4H3,(H,23,27).
What are the key properties of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109297333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).