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

C19H25N5O — CID 109302442

IUPACN-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)Nc3c(C)cccc3C)n2)CC1
InChIInChI=1S/C19H25N5O/c1-4-23-10-12-24(13-11-23)19-20-9-8-16(21-19)18(25)22-17-14(2)6-5-7-15(17)3/h5-9H,4,10-13H2,1-3H3,(H,22,25)
InChIKeyHIWYHFUQERNWDN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.49
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109302442) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109302442
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)Nc3c(C)cccc3C)n2)CC1
InChIInChI=1S/C19H25N5O/c1-4-23-10-12-24(13-11-23)19-20-9-8-16(21-19)18(25)22-17-14(2)6-5-7-15(17)3/h5-9H,4,10-13H2,1-3H3,(H,22,25)
InChIKeyHIWYHFUQERNWDN-UHFFFAOYSA-N
XLogP2.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
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CID 57340685
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
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CID 9864718

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109302442) is N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide is CCN1CCN(c2nccc(C(=O)Nc3c(C)cccc3C)n2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is HIWYHFUQERNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-23-10-12-24(13-11-23)19-20-9-8-16(21-19)18(25)22-17-14(2)6-5-7-15(17)3/h5-9H,4,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109302442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).