2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide

C15H18N4O3 — CID 54853938

IUPAC2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc(N)n1
InChIInChI=1S/C15H18N4O3/c1-4-17-14(20)12-8-11(18-15(16)19-12)10-6-5-9(21-2)7-13(10)22-3/h5-8H,4H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyGEVHXTKSVDTYOR-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.49
Rot. Bonds5

About 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide

2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide (PubChem CID 54853938) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
PubChem CID54853938
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc(N)n1
InChIInChI=1S/C15H18N4O3/c1-4-17-14(20)12-8-11(18-15(16)19-12)10-6-5-9(21-2)7-13(10)22-3/h5-8H,4H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyGEVHXTKSVDTYOR-UHFFFAOYSA-N
XLogP1.49
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
CID 54853940
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
CID 54854055
6-(2,4-dimethoxyphenyl)-2-propylpyrimidin-4-amine
CID 80946280
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
4-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)pyrimidin-2-amine
CID 75359700
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
CID 82446236
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide (CID 54853938) is 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide is CCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc(N)n1.
What is the InChIKey of 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide?
The InChIKey is GEVHXTKSVDTYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-17-14(20)12-8-11(18-15(16)19-12)10-6-5-9(21-2)7-13(10)22-3/h5-8H,4H2,1-3H3,(H,17,20)(H2,16,18,19).
What are the key properties of 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide?
2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 54853938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).