N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide

C18H24N4O2 — CID 109263915

IUPACN-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cc(C)ccc2OC)nc1
InChIInChI=1S/C18H24N4O2/c1-5-6-9-22(3)17(23)14-11-19-18(20-12-14)21-15-10-13(2)7-8-16(15)24-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyDETNZPHLSUYKFU-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.41
Rot. Bonds7

About N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide

N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide (PubChem CID 109263915) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
PubChem CID109263915
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cc(C)ccc2OC)nc1
InChIInChI=1S/C18H24N4O2/c1-5-6-9-22(3)17(23)14-11-19-18(20-12-14)21-15-10-13(2)7-8-16(15)24-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyDETNZPHLSUYKFU-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847072
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263948
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109263888
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109260979
N-(3,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109266866

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide (CID 109263915) is N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2cc(C)ccc2OC)nc1.
What is the InChIKey of N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is DETNZPHLSUYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-6-9-22(3)17(23)14-11-19-18(20-12-14)21-15-10-13(2)7-8-16(15)24-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21).
What are the key properties of N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide?
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).