6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine

C22H25N5O — CID 112864698

IUPAC6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(N2CCN(c3cc(Nc4ccccc4C)ncn3)CC2)cc1
InChIInChI=1S/C22H25N5O/c1-17-5-3-4-6-20(17)25-21-15-22(24-16-23-21)27-13-11-26(12-14-27)18-7-9-19(28-2)10-8-18/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyYDNIXRSJTMJCRL-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.86
Rot. Bonds5

About 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine

6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 112864698) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
PubChem CID112864698
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(N2CCN(c3cc(Nc4ccccc4C)ncn3)CC2)cc1
InChIInChI=1S/C22H25N5O/c1-17-5-3-4-6-20(17)25-21-15-22(24-16-23-21)27-13-11-26(12-14-27)18-7-9-19(28-2)10-8-18/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyYDNIXRSJTMJCRL-UHFFFAOYSA-N
XLogP3.86
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
4-[6-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858270
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 112862333
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863304
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
CID 23490858
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine (CID 112864698) is 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine is COc1ccc(N2CCN(c3cc(Nc4ccccc4C)ncn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is YDNIXRSJTMJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-5-3-4-6-20(17)25-21-15-22(24-16-23-21)27-13-11-26(12-14-27)18-7-9-19(28-2)10-8-18/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112864698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).