2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine

C23H26FN5 — CID 112923595

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2F)nc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C23H26FN5/c1-16-7-6-10-21(18(16)3)28-11-13-29(14-12-28)23-25-17(2)15-22(27-23)26-20-9-5-4-8-19(20)24/h4-10,15H,11-14H2,1-3H3,(H,25,26,27)
InChIKeyCMLRQXSMCLVTCO-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.61
Rot. Bonds4

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 112923595) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
PubChem CID112923595
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2F)nc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C23H26FN5/c1-16-7-6-10-21(18(16)3)28-11-13-29(14-12-28)23-25-17(2)15-22(27-23)26-20-9-5-4-8-19(20)24/h4-10,15H,11-14H2,1-3H3,(H,25,26,27)
InChIKeyCMLRQXSMCLVTCO-UHFFFAOYSA-N
XLogP4.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923592
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914032
N-(2,3-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923499
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112908138
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110383480
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine
CID 112923593

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine (CID 112923595) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccccc2F)nc(N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is CMLRQXSMCLVTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-16-7-6-10-21(18(16)3)28-11-13-29(14-12-28)23-25-17(2)15-22(27-23)26-20-9-5-4-8-19(20)24/h4-10,15H,11-14H2,1-3H3,(H,25,26,27).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112923595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).