N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide

C20H28N4O — CID 109362604

IUPACN-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1cc(C(=O)NC(C)CC)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-6-13(4)21-20(25)17-12-18(23-14(5)22-17)24-19-15(7-2)10-9-11-16(19)8-3/h9-13H,6-8H2,1-5H3,(H,21,25)(H,22,23,24)
InChIKeyIGIDLMCHVRFCPT-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.18
Rot. Bonds7

About N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide

N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362604) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109362604
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1cc(C(=O)NC(C)CC)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-6-13(4)21-20(25)17-12-18(23-14(5)22-17)24-19-15(7-2)10-9-11-16(19)8-3/h9-13H,6-8H2,1-5H3,(H,21,25)(H,22,23,24)
InChIKeyIGIDLMCHVRFCPT-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362618
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
CID 82306131
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109362538
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
CID 109362582
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109362604) is N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide is CCc1cccc(CC)c1Nc1cc(C(=O)NC(C)CC)nc(C)n1.
What is the InChIKey of N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IGIDLMCHVRFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-13(4)21-20(25)17-12-18(23-14(5)22-17)24-19-15(7-2)10-9-11-16(19)8-3/h9-13H,6-8H2,1-5H3,(H,21,25)(H,22,23,24).
What are the key properties of N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide?
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).