N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C17H22N4O2 — CID 109373828

IUPACN-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC(C)(C)C)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-11-18-13(16(22)21-17(2,3)4)10-15(19-11)20-12-8-6-7-9-14(12)23-5/h6-10H,1-5H3,(H,21,22)(H,18,19,20)
InChIKeyWEVQQXXAXFHDHL-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds4

About N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109373828) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109373828
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC(C)(C)C)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-11-18-13(16(22)21-17(2,3)4)10-15(19-11)20-12-8-6-7-9-14(12)23-5/h6-10H,1-5H3,(H,21,22)(H,18,19,20)
InChIKeyWEVQQXXAXFHDHL-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-tert-butyl-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370215
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109216878
ethyl 4-[6-(2-methoxyanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109373094
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878293
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849615

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 109373828) is N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NC(C)(C)C)nc(C)n1.
What is the InChIKey of N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is WEVQQXXAXFHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-18-13(16(22)21-17(2,3)4)10-15(19-11)20-12-8-6-7-9-14(12)23-5/h6-10H,1-5H3,(H,21,22)(H,18,19,20).
What are the key properties of N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).