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

C18H23ClN4O — CID 109362618

IUPACN-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2c(C)cc(C)cc2Cl)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-6-12(4)20-18(24)15-9-16(22-13(5)21-15)23-17-11(3)7-10(2)8-14(17)19/h7-9,12H,6H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyHVUAHDRMHDONCB-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.33
Rot. Bonds5

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

N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362618) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109362618
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2c(C)cc(C)cc2Cl)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-6-12(4)20-18(24)15-9-16(22-13(5)21-15)23-17-11(3)7-10(2)8-14(17)19/h7-9,12H,6H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyHVUAHDRMHDONCB-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
CID 109181511
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
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
2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321297
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849685
2-methyl-6-(propylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109360086
N-(2-chloro-4,6-dimethylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylpyrimidine-4-carboxamide
CID 109366648

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109362618) is N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2c(C)cc(C)cc2Cl)nc(C)n1.
What is the InChIKey of N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HVUAHDRMHDONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-6-12(4)20-18(24)15-9-16(22-13(5)21-15)23-17-11(3)7-10(2)8-14(17)19/h7-9,12H,6H2,1-5H3,(H,20,24)(H,21,22,23).
What are the key properties of N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.33, 5 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-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).