6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C22H25N5 — CID 112922247

IUPAC6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5/c1-17-8-6-7-11-20(17)24-21-16-18(2)23-22(25-21)27-14-12-26(13-15-27)19-9-4-3-5-10-19/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyPOTKIVLRGROAQD-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.16
Rot. Bonds4

About 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112922247) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112922247
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2C)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5/c1-17-8-6-7-11-20(17)24-21-16-18(2)23-22(25-21)27-14-12-26(13-15-27)19-9-4-3-5-10-19/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)
InChIKeyPOTKIVLRGROAQD-UHFFFAOYSA-N
XLogP4.16
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
N-(2,3-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923499
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112920449
N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914032
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922264
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112923595
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922275
4-N-(2-methylphenyl)-2-piperidin-1-ylpyrimidine-4,6-diamine
CID 101490032
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112922247) is 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc(Nc2ccccc2C)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is POTKIVLRGROAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-17-8-6-7-11-20(17)24-21-16-18(2)23-22(25-21)27-14-12-26(13-15-27)19-9-4-3-5-10-19/h3-11,16H,12-15H2,1-2H3,(H,23,24,25).
What are the key properties of 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112922247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).