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

C18H24N4O2 — CID 109332780

IUPACN-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-6-24-15-10-8-7-9-13(15)20-17-19-12(2)11-14(21-17)16(23)22-18(3,4)5/h7-11H,6H2,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyHKHXJEFUFAOVOE-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.46
Rot. Bonds5

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

N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332780) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332780
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C18H24N4O2/c1-6-24-15-10-8-7-9-13(15)20-17-19-12(2)11-14(21-17)16(23)22-18(3,4)5/h7-11H,6H2,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyHKHXJEFUFAOVOE-UHFFFAOYSA-N
XLogP3.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
2-(2-ethoxyanilino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329813
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546227
[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326236
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
N-tert-butyl-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332746
2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337630
4-[[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194356
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330651
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109332780) is N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide is CCOc1ccccc1Nc1nc(C)cc(C(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HKHXJEFUFAOVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-6-24-15-10-8-7-9-13(15)20-17-19-12(2)11-14(21-17)16(23)22-18(3,4)5/h7-11H,6H2,1-5H3,(H,22,23)(H,19,20,21).
What are the key properties of N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).