N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine

C23H26FN5 — CID 112898489

IUPACN-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1cccc(C)c1)c1nccc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C23H26FN5/c1-3-29(19-8-6-7-18(2)17-19)23-25-12-11-22(26-23)28-15-13-27(14-16-28)21-10-5-4-9-20(21)24/h4-12,17H,3,13-16H2,1-2H3
InChIKeyGHVJJTRBGQYJFW-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.41
Rot. Bonds5

About N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine

N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 112898489) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID112898489
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC NameN-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1cccc(C)c1)c1nccc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C23H26FN5/c1-3-29(19-8-6-7-18(2)17-19)23-25-12-11-22(26-23)28-15-13-27(14-16-28)21-10-5-4-9-20(21)24/h4-12,17H,3,13-16H2,1-2H3
InChIKeyGHVJJTRBGQYJFW-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-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
CID 112957592
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112914294
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695
N-(2,4-dimethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898451
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174480

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine (CID 112898489) is N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine is CCN(c1cccc(C)c1)c1nccc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is GHVJJTRBGQYJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-3-29(19-8-6-7-18(2)17-19)23-25-12-11-22(26-23)28-15-13-27(14-16-28)21-10-5-4-9-20(21)24/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine?
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-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-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112898489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).