4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

C23H27N7O3 — CID 53143999

IUPAC4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2N)c(OC)c1
InChIInChI=1S/C23H27N7O3/c1-32-17-7-6-16(19(13-17)33-2)14-26-22(31)18-15-27-23(28-21(18)24)30-11-9-29(10-12-30)20-5-3-4-8-25-20/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,31)(H2,24,27,28)
InChIKeyNSVXEPQPJHRLEN-UHFFFAOYSA-N
MW449.52 g/mol
LogP1.73
Rot. Bonds7

About 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 53143999) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID53143999
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2N)c(OC)c1
InChIInChI=1S/C23H27N7O3/c1-32-17-7-6-16(19(13-17)33-2)14-26-22(31)18-15-27-23(28-21(18)24)30-11-9-29(10-12-30)20-5-3-4-8-25-20/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,31)(H2,24,27,28)
InChIKeyNSVXEPQPJHRLEN-UHFFFAOYSA-N
XLogP1.73
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143993
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 142592642
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219736
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138994491

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 53143999) is 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2N)c(OC)c1.
What is the InChIKey of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is NSVXEPQPJHRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-32-17-7-6-16(19(13-17)33-2)14-26-22(31)18-15-27-23(28-21(18)24)30-11-9-29(10-12-30)20-5-3-4-8-25-20/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,31)(H2,24,27,28).
What are the key properties of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53143999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).