N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine

C23H26FN5 — CID 112874796

IUPACN-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C23H26FN5/c1-3-29(21-7-5-4-6-8-21)23-17-22(25-18(2)26-23)28-15-13-27(14-16-28)20-11-9-19(24)10-12-20/h4-12,17H,3,13-16H2,1-2H3
InChIKeyOCWMIVJZORZACZ-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.41
Rot. Bonds5

About N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine

N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine (PubChem CID 112874796) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
PubChem CID112874796
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC NameN-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C23H26FN5/c1-3-29(21-7-5-4-6-8-21)23-17-22(25-18(2)26-23)28-15-13-27(14-16-28)20-11-9-19(24)10-12-20/h4-12,17H,3,13-16H2,1-2H3
InChIKeyOCWMIVJZORZACZ-UHFFFAOYSA-N
XLogP4.41
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-6-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 112869906
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871236
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869319
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
4-[2-methyl-6-(N-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871060
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
CID 112875379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine (CID 112874796) is N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine is CCN(c1ccccc1)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(C)n1.
What is the InChIKey of N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is OCWMIVJZORZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-3-29(21-7-5-4-6-8-21)23-17-22(25-18(2)26-23)28-15-13-27(14-16-28)20-11-9-19(24)10-12-20/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine?
N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112874796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).