2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C19H19N5O — CID 44520953

IUPAC2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C19H19N5O/c1-2-13-7-3-4-9-15(13)16-11-17(24-19(20)23-16)18(25)22-12-14-8-5-6-10-21-14/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyJMEKQHQAVWJJPL-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.61
Rot. Bonds5

About 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520953) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520953
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C19H19N5O/c1-2-13-7-3-4-9-15(13)16-11-17(24-19(20)23-16)18(25)22-12-14-8-5-6-10-21-14/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyJMEKQHQAVWJJPL-UHFFFAOYSA-N
XLogP2.61
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520955
2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
CID 44520959
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282986
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520953) is 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CCc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is JMEKQHQAVWJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-13-7-3-4-9-15(13)16-11-17(24-19(20)23-16)18(25)22-12-14-8-5-6-10-21-14/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).