N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide

C18H23ClN4O2 — CID 109362679

IUPACN-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cc(C)c(Cl)cc2OC)nc(C)n1
InChIInChI=1S/C18H23ClN4O2/c1-6-11(3)20-18(24)15-9-17(22-12(4)21-15)23-14-7-10(2)13(19)8-16(14)25-5/h7-9,11H,6H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyFNGFSPZCCGDAKX-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.03
Rot. Bonds6

About N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide

N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362679) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109362679
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cc(C)c(Cl)cc2OC)nc(C)n1
InChIInChI=1S/C18H23ClN4O2/c1-6-11(3)20-18(24)15-9-17(22-12(4)21-15)23-14-7-10(2)13(19)8-16(14)25-5/h7-9,11H,6H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyFNGFSPZCCGDAKX-UHFFFAOYSA-N
XLogP4.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846689
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362618
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846579
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360950
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109165879
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003
N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide (CID 109362679) is N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2cc(C)c(Cl)cc2OC)nc(C)n1.
What is the InChIKey of N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is FNGFSPZCCGDAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-6-11(3)20-18(24)15-9-17(22-12(4)21-15)23-14-7-10(2)13(19)8-16(14)25-5/h7-9,11H,6H2,1-5H3,(H,20,24)(H,21,22,23).
What are the key properties of N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide?
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).