4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

C23H26FN5 — CID 112896582

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(Nc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C23H26FN5/c1-17(2)18-3-7-20(8-4-18)26-23-25-12-11-22(27-23)29-15-13-28(14-16-29)21-9-5-19(24)6-10-21/h3-12,17H,13-16H2,1-2H3,(H,25,26,27)
InChIKeyWNNGDAMLKOWOPG-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.81
Rot. Bonds5

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 112896582) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID112896582
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(Nc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C23H26FN5/c1-17(2)18-3-7-20(8-4-18)26-23-25-12-11-22(27-23)29-15-13-28(14-16-29)21-9-5-19(24)6-10-21/h3-12,17H,13-16H2,1-2H3,(H,25,26,27)
InChIKeyWNNGDAMLKOWOPG-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896286
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
N-(3,4-difluorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112901714
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888637
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (CID 112896582) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is CC(C)c1ccc(Nc2nccc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is WNNGDAMLKOWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-17(2)18-3-7-20(8-4-18)26-23-25-12-11-22(27-23)29-15-13-28(14-16-29)21-9-5-19(24)6-10-21/h3-12,17H,13-16H2,1-2H3,(H,25,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 391.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112896582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).