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

C17H22N4O — CID 109347663

IUPAC6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)16-11-15(18-12-19-16)17(22)20-13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyGYKFOADSJAMXEF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds6

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

6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109347663) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109347663
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-4-21(5-2)16-11-15(18-12-19-16)17(22)20-13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyGYKFOADSJAMXEF-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347681
5-(diethylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280789
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693
6-(dipropylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369267
6-(diethylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353284
N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109347642
6-(3-chlorophenyl)-N-[(1R)-1-phenylethyl]pyrimidine-4-carboxamide
CID 44634188
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353333

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109347663) is 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)NC(C)c2ccccc2)ncn1.
What is the InChIKey of 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is GYKFOADSJAMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-21(5-2)16-11-15(18-12-19-16)17(22)20-13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).