6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109350581

IUPAC6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C21H22N4O/c1-2-17-10-6-7-11-18(17)25-20-14-19(23-15-24-20)21(26)22-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyREDGQKNOUHCRFU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.76
Rot. Bonds7

About 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109350581) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109350581
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C21H22N4O/c1-2-17-10-6-7-11-18(17)25-20-14-19(23-15-24-20)21(26)22-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyREDGQKNOUHCRFU-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350591
N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109352394
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
methyl 4-[[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109350619
6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109340230
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109350581) is 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)NCCc2ccccc2)ncn1.
What is the InChIKey of 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is REDGQKNOUHCRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-17-10-6-7-11-18(17)25-20-14-19(23-15-24-20)21(26)22-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).