4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide

C23H26N6O — CID 53336281

IUPAC4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c(C)c1
InChIInChI=1S/C23H26N6O/c1-16-8-9-20(17(2)14-16)28-10-12-29(13-11-28)23-25-15-19(21(24)27-23)22(30)26-18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,26,30)(H2,24,25,27)
InChIKeyAFGXSOKRCHGNMQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.25
Rot. Bonds4

About 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide

4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 53336281) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
PubChem CID53336281
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c(C)c1
InChIInChI=1S/C23H26N6O/c1-16-8-9-20(17(2)14-16)28-10-12-29(13-11-28)23-25-15-19(21(24)27-23)22(30)26-18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,26,30)(H2,24,25,27)
InChIKeyAFGXSOKRCHGNMQ-UHFFFAOYSA-N
XLogP3.25
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 53336280
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345549
4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821
4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 53144022
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
4-amino-6-methyl-N-phenylpyridine-3-carboxamide
CID 81236063
4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143912

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide (CID 53336281) is 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide is Cc1ccc(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c(C)c1.
What is the InChIKey of 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is AFGXSOKRCHGNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-16-8-9-20(17(2)14-16)28-10-12-29(13-11-28)23-25-15-19(21(24)27-23)22(30)26-18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,26,30)(H2,24,25,27).
What are the key properties of 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide?
4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 53336281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).