6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C17H22N4O2 — CID 109360701

IUPAC6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NC(C)C)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-5-23-15-9-7-6-8-13(15)21-16-10-14(19-12(4)20-16)17(22)18-11(2)3/h6-11H,5H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyHUCUYGJGVHGZBE-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds6

About 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360701) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360701
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NC(C)C)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-5-23-15-9-7-6-8-13(15)21-16-10-14(19-12(4)20-16)17(22)18-11(2)3/h6-11H,5H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeyHUCUYGJGVHGZBE-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368678
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360701) is 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)NC(C)C)nc(C)n1.
What is the InChIKey of 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HUCUYGJGVHGZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-23-15-9-7-6-8-13(15)21-16-10-14(19-12(4)20-16)17(22)18-11(2)3/h6-11H,5H2,1-4H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).