2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide

C22H24N4O — CID 109303665

IUPAC2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-3-17-11-8-12-18(4-2)20(17)26-21(27)19-13-14-23-22(25-19)24-15-16-9-6-5-7-10-16/h5-14H,3-4,15H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyUGPZVMBNTLNJOS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.47
Rot. Bonds7

About 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide

2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109303665) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
PubChem CID109303665
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-3-17-11-8-12-18(4-2)20(17)26-21(27)19-13-14-23-22(25-19)24-15-16-9-6-5-7-10-16/h5-14H,3-4,15H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyUGPZVMBNTLNJOS-UHFFFAOYSA-N
XLogP4.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(2,6-diethylphenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301141
N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306939
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307573
methyl 2-[[2-(benzylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109303702
2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109301137
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide (CID 109303665) is 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide is CCc1cccc(CC)c1NC(=O)c1ccnc(NCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is UGPZVMBNTLNJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-17-11-8-12-18(4-2)20(17)26-21(27)19-13-14-23-22(25-19)24-15-16-9-6-5-7-10-16/h5-14H,3-4,15H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide?
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).