N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide

C17H20N4O — CID 171134990

IUPACN-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
SMILESCCN(CC=Cc1ccccc1)C(=O)c1cnc(NC)nc1
InChIInChI=1S/C17H20N4O/c1-3-21(11-7-10-14-8-5-4-6-9-14)16(22)15-12-19-17(18-2)20-13-15/h4-10,12-13H,3,11H2,1-2H3,(H,18,19,20)
InChIKeyXPDRVDQYIWPNHM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide

N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide (PubChem CID 171134990) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
PubChem CID171134990
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
SMILESCCN(CC=Cc1ccccc1)C(=O)c1cnc(NC)nc1
InChIInChI=1S/C17H20N4O/c1-3-21(11-7-10-14-8-5-4-6-9-14)16(22)15-12-19-17(18-2)20-13-15/h4-10,12-13H,3,11H2,1-2H3,(H,18,19,20)
InChIKeyXPDRVDQYIWPNHM-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 50961931
N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
CID 171134567
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
(2R)-2-amino-N-ethyl-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50984163
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide
CID 50970090
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258372
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide (CID 171134990) is N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide is CCN(CC=Cc1ccccc1)C(=O)c1cnc(NC)nc1.
What is the InChIKey of N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
The InChIKey is XPDRVDQYIWPNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-21(11-7-10-14-8-5-4-6-9-14)16(22)15-12-19-17(18-2)20-13-15/h4-10,12-13H,3,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide?
N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 171134990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).