N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C20H21N5O2 — CID 109329690

IUPACN-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)nc(NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O2/c1-3-27-18-10-5-4-9-16(18)24-19(26)17-12-14(2)23-20(25-17)22-13-15-8-6-7-11-21-15/h4-12H,3,13H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyWKYRWUMCTPVQHX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.44
Rot. Bonds7

About N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109329690) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109329690
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)nc(NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O2/c1-3-27-18-10-5-4-9-16(18)24-19(26)17-12-14(2)23-20(25-17)22-13-15-8-6-7-11-21-15/h4-12H,3,13H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyWKYRWUMCTPVQHX-UHFFFAOYSA-N
XLogP3.44
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxyanilino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329813
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161
N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329721
N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212895
N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329638
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337630
N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109332780
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109329690) is N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(C)nc(NCc2ccccn2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is WKYRWUMCTPVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-27-18-10-5-4-9-16(18)24-19(26)17-12-14(2)23-20(25-17)22-13-15-8-6-7-11-21-15/h4-12H,3,13H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).