6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C20H20N4O — CID 109347681

IUPAC6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(N(C)c2ccccc2)ncn1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(16-9-5-3-6-10-16)23-20(25)18-13-19(22-14-21-18)24(2)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,23,25)
InChIKeyFEGPETPKTWPWBO-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.74
Rot. Bonds5

About 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109347681) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109347681
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(N(C)c2ccccc2)ncn1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(16-9-5-3-6-10-16)23-20(25)18-13-19(22-14-21-18)24(2)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,23,25)
InChIKeyFEGPETPKTWPWBO-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347663
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356370
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320
N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356373
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831
6-(3-chlorophenyl)-N-[(1R)-1-phenylethyl]pyrimidine-4-carboxamide
CID 44634188
6-(dimethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 84575144
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109347681) is 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is CC(NC(=O)c1cc(N(C)c2ccccc2)ncn1)c1ccccc1.
What is the InChIKey of 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is FEGPETPKTWPWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15(16-9-5-3-6-10-16)23-20(25)18-13-19(22-14-21-18)24(2)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,23,25).
What are the key properties of 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).