6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

C19H23N5O2 — CID 109345915

IUPAC6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3cc(C)ccc3C)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-14(2)16(10-13)22-19(26)17-11-18(21-12-20-17)24-8-6-23(7-9-24)15(3)25/h4-5,10-12H,6-9H2,1-3H3,(H,22,26)
InChIKeyWPOUDPJCBKUVGR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.01
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109345915) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109345915
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3cc(C)ccc3C)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-14(2)16(10-13)22-19(26)17-11-18(21-12-20-17)24-8-6-23(7-9-24)15(3)25/h4-5,10-12H,6-9H2,1-3H3,(H,22,26)
InChIKeyWPOUDPJCBKUVGR-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

ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352809
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953
1-[4-[6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858448
6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109345656
6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109345988
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352528
6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
CID 109340018
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858485
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
6-(4-acetylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340398
N-(2,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367223

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (CID 109345915) is 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is CC(=O)N1CCN(c2cc(C(=O)Nc3cc(C)ccc3C)ncn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is WPOUDPJCBKUVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-4-5-14(2)16(10-13)22-19(26)17-11-18(21-12-20-17)24-8-6-23(7-9-24)15(3)25/h4-5,10-12H,6-9H2,1-3H3,(H,22,26).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(2,5-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-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109345915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).