2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide

C22H24N4O — CID 109256352

IUPAC2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-3-26(16-18-10-6-4-7-11-18)22-23-14-20(15-24-22)21(27)25-17(2)19-12-8-5-9-13-19/h4-15,17H,3,16H2,1-2H3,(H,25,27)
InChIKeyUGJNWPPEIYWFAQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.99
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109256352) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109256352
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-3-26(16-18-10-6-4-7-11-18)22-23-14-20(15-24-22)21(27)25-17(2)19-12-8-5-9-13-19/h4-15,17H,3,16H2,1-2H3,(H,25,27)
InChIKeyUGJNWPPEIYWFAQ-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
2-(N-ethyl-3-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
5-(diethylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280789
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109258516
2-[benzyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258481
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 109256352) is 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide is CCN(Cc1ccccc1)c1ncc(C(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is UGJNWPPEIYWFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-26(16-18-10-6-4-7-11-18)22-23-14-20(15-24-22)21(27)25-17(2)19-12-8-5-9-13-19/h4-15,17H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).