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

C19H19N5O2 — CID 44520954

IUPAC2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C19H19N5O2/c1-2-26-17-9-4-3-8-14(17)15-11-16(24-19(20)23-15)18(25)22-12-13-7-5-6-10-21-13/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyOKSUQKCATVFMCK-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.45
Rot. Bonds6

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

2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520954) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520954
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C19H19N5O2/c1-2-26-17-9-4-3-8-14(17)15-11-16(24-19(20)23-15)18(25)22-12-13-7-5-6-10-21-13/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyOKSUQKCATVFMCK-UHFFFAOYSA-N
XLogP2.45
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520954) is 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CCOc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is OKSUQKCATVFMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-26-17-9-4-3-8-14(17)15-11-16(24-19(20)23-15)18(25)22-12-13-7-5-6-10-21-13/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).