6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide

C21H29N5O — CID 109340442

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)NCC(C)C)ncn3)CC2)c1C
InChIInChI=1S/C21H29N5O/c1-15(2)13-22-21(27)18-12-20(24-14-23-18)26-10-8-25(9-11-26)19-7-5-6-16(3)17(19)4/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,22,27)
InChIKeyZVIRPBBSRGATKU-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.81
Rot. Bonds5

About 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109340442) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109340442
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)NCC(C)C)ncn3)CC2)c1C
InChIInChI=1S/C21H29N5O/c1-15(2)13-22-21(27)18-12-20(24-14-23-18)26-10-8-25(9-11-26)19-7-5-6-16(3)17(19)4/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,22,27)
InChIKeyZVIRPBBSRGATKU-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342971
6-(4-acetylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340398
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340439
1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192731
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858244
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109353119
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109345330
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109340442) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1cccc(N2CCN(c3cc(C(=O)NCC(C)C)ncn3)CC2)c1C.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is ZVIRPBBSRGATKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15(2)13-22-21(27)18-12-20(24-14-23-18)26-10-8-25(9-11-26)19-7-5-6-16(3)17(19)4/h5-7,12,14-15H,8-11,13H2,1-4H3,(H,22,27).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).