N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine

C23H26FN5 — CID 112923703

IUPACN-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(C)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C23H26FN5/c1-3-18-8-4-6-10-20(18)26-22-16-17(2)25-23(27-22)29-14-12-28(13-15-29)21-11-7-5-9-19(21)24/h4-11,16H,3,12-15H2,1-2H3,(H,25,26,27)
InChIKeyANSKMYCPABOYQU-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.56
Rot. Bonds5

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

N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (PubChem CID 112923703) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
PubChem CID112923703
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC NameN-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(C)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C23H26FN5/c1-3-18-8-4-6-10-20(18)26-22-16-17(2)25-23(27-22)29-14-12-28(13-15-29)21-11-7-5-9-19(21)24/h4-11,16H,3,12-15H2,1-2H3,(H,25,26,27)
InChIKeyANSKMYCPABOYQU-UHFFFAOYSA-N
XLogP4.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923719
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957650
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112923595
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 112923684
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321429
N-(2-ethylphenyl)-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875594
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (CID 112923703) is N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is CCc1ccccc1Nc1cc(C)nc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The InChIKey is ANSKMYCPABOYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-3-18-8-4-6-10-20(18)26-22-16-17(2)25-23(27-22)29-14-12-28(13-15-29)21-11-7-5-9-19(21)24/h4-11,16H,3,12-15H2,1-2H3,(H,25,26,27).
What are the key properties of N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112923703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).