N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C19H25N5O3 — CID 109366965

IUPACN-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCN(C)CC3)nc(C)n2)cc1OC
InChIInChI=1S/C19H25N5O3/c1-13-20-15(12-18(21-13)24-9-7-23(2)8-10-24)19(25)22-14-5-6-16(26-3)17(11-14)27-4/h5-6,11-12H,7-10H2,1-4H3,(H,22,25)
InChIKeyFGBZSQUALQKRJL-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.81
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109366965) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109366965
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCN(C)CC3)nc(C)n2)cc1OC
InChIInChI=1S/C19H25N5O3/c1-13-20-15(12-18(21-13)24-9-7-23(2)8-10-24)19(25)22-14-5-6-16(26-3)17(11-14)27-4/h5-6,11-12H,7-10H2,1-4H3,(H,22,25)
InChIKeyFGBZSQUALQKRJL-UHFFFAOYSA-N
XLogP1.81
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366926
N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366970
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366985
N-(3-fluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366981
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366997
2-methyl-6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366936
N-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
N-(3-chloro-4-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362806
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364810
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109366965) is N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(N3CCN(C)CC3)nc(C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is FGBZSQUALQKRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-20-15(12-18(21-13)24-9-7-23(2)8-10-24)19(25)22-14-5-6-16(26-3)17(11-14)27-4/h5-6,11-12H,7-10H2,1-4H3,(H,22,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).