2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide

C17H23N5O — CID 109301059

IUPAC2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCCN(C)C)n1)c1ccccc1
InChIInChI=1S/C17H23N5O/c1-13(14-7-5-4-6-8-14)20-16(23)15-9-10-18-17(21-15)19-11-12-22(2)3/h4-10,13H,11-12H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyQVMKHSKLTNOMSI-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.94
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109301059) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109301059
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCCN(C)C)n1)c1ccccc1
InChIInChI=1S/C17H23N5O/c1-13(14-7-5-4-6-8-14)20-16(23)15-9-10-18-17(21-15)19-11-12-22(2)3/h4-10,13H,11-12H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyQVMKHSKLTNOMSI-UHFFFAOYSA-N
XLogP1.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295333
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301147
2-(1,3-benzodioxol-5-ylmethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304850
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-(2,6-diethylphenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301141
2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304931
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304896
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109301059) is 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is CC(NC(=O)c1ccnc(NCCN(C)C)n1)c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is QVMKHSKLTNOMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(14-7-5-4-6-8-14)20-16(23)15-9-10-18-17(21-15)19-11-12-22(2)3/h4-10,13H,11-12H2,1-3H3,(H,20,23)(H,18,19,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).