6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide

C19H23N5O2 — CID 109345919

IUPAC6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3cccc(C)c3C)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-5-4-6-16(14(13)2)22-19(26)17-11-18(21-12-20-17)24-9-7-23(8-10-24)15(3)25/h4-6,11-12H,7-10H2,1-3H3,(H,22,26)
InChIKeyPGZFQCPCNRUWPN-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.01
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109345919) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109345919
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3cccc(C)c3C)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-5-4-6-16(14(13)2)22-19(26)17-11-18(21-12-20-17)24-9-7-23(8-10-24)15(3)25/h4-6,11-12H,7-10H2,1-3H3,(H,22,26)
InChIKeyPGZFQCPCNRUWPN-UHFFFAOYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109353119
6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953
ethyl 4-[6-[(2-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352823
6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109345988
ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352809
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103954
6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109367760
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340442

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (CID 109345919) is 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is CC(=O)N1CCN(c2cc(C(=O)Nc3cccc(C)c3C)ncn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is PGZFQCPCNRUWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-5-4-6-16(14(13)2)22-19(26)17-11-18(21-12-20-17)24-9-7-23(8-10-24)15(3)25/h4-6,11-12H,7-10H2,1-3H3,(H,22,26).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109345919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).