N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide

C18H24N4O3 — CID 109362633

IUPACN-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C18H24N4O3/c1-6-11(2)19-18(23)14-10-17(21-12(3)20-14)22-13-7-8-15(24-4)16(9-13)25-5/h7-11H,6H2,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyOPJYHAGQNMDRFK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.07
Rot. Bonds7

About N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide

N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362633) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109362633
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc(C)n1
InChIInChI=1S/C18H24N4O3/c1-6-11(2)19-18(23)14-10-17(21-12(3)20-14)22-13-7-8-15(24-4)16(9-13)25-5/h7-11H,6H2,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyOPJYHAGQNMDRFK-UHFFFAOYSA-N
XLogP3.07
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109273249
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
[6-(3,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367398
N-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
6-(3,4-dimethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368685
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 109362633) is N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc(C)n1.
What is the InChIKey of N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is OPJYHAGQNMDRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-6-11(2)19-18(23)14-10-17(21-12(3)20-14)22-13-7-8-15(24-4)16(9-13)25-5/h7-11H,6H2,1-5H3,(H,19,23)(H,20,21,22).
What are the key properties of N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).