N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide

C18H24N4O3 — CID 109354790

IUPACN-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C18H24N4O3/c1-5-6-9-22(2)18(23)14-11-17(20-12-19-14)21-13-7-8-15(24-3)16(10-13)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyAAKSSUPMSHUYPH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.11
Rot. Bonds8

About N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide

N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109354790) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109354790
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C18H24N4O3/c1-5-6-9-22(2)18(23)14-11-17(20-12-19-14)21-13-7-8-15(24-3)16(10-13)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyAAKSSUPMSHUYPH-UHFFFAOYSA-N
XLogP3.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109354803
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357478
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide (CID 109354790) is N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ncn1.
What is the InChIKey of N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is AAKSSUPMSHUYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-6-9-22(2)18(23)14-11-17(20-12-19-14)21-13-7-8-15(24-3)16(10-13)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21).
What are the key properties of N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide?
N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109354790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).