N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C20H21N5O — CID 109306939

IUPACN-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O/c1-3-15-8-6-7-14(2)18(15)25-19(26)17-10-12-22-20(24-17)23-13-16-9-4-5-11-21-16/h4-12H,3,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyRKPVYDBCXOUOBV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.61
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109306939) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109306939
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O/c1-3-15-8-6-7-14(2)18(15)25-19(26)17-10-12-22-20(24-17)23-13-16-9-4-5-11-21-16/h4-12H,3,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyRKPVYDBCXOUOBV-UHFFFAOYSA-N
XLogP3.61
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109301137
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
N-(4-bromo-3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306996
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307014
N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306960
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109306939) is N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is RKPVYDBCXOUOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-15-8-6-7-14(2)18(15)25-19(26)17-10-12-22-20(24-17)23-13-16-9-4-5-11-21-16/h4-12H,3,13H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).