N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide

C19H26N4O2 — CID 112847072

IUPACN-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cc(C)ccc2OC)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-6-7-10-23(4)19(24)16-12-18(21-14(3)20-16)22-15-11-13(2)8-9-17(15)25-5/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,21,22)
InChIKeyAYFAPAOZYFHOPD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.72
Rot. Bonds7

About N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide

N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 112847072) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID112847072
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cc(C)ccc2OC)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-6-7-10-23(4)19(24)16-12-18(21-14(3)20-16)22-15-11-13(2)8-9-17(15)25-5/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,21,22)
InChIKeyAYFAPAOZYFHOPD-UHFFFAOYSA-N
XLogP3.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-[butyl(methyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112847085
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide (CID 112847072) is N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2cc(C)ccc2OC)nc(C)n1.
What is the InChIKey of N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is AYFAPAOZYFHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-6-7-10-23(4)19(24)16-12-18(21-14(3)20-16)22-15-11-13(2)8-9-17(15)25-5/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,21,22).
What are the key properties of N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).