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

C18H24FN5 — CID 112883380

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H24FN5/c1-14(2)13-21-18-20-8-7-17(22-18)24-11-9-23(10-12-24)16-5-3-15(19)4-6-16/h3-8,14H,9-13H2,1-2H3,(H,20,21,22)
InChIKeyYGRCDAXYNISEDT-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.01
Rot. Bonds5

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

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 112883380) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID112883380
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H24FN5/c1-14(2)13-21-18-20-8-7-17(22-18)24-11-9-23(10-12-24)16-5-3-15(19)4-6-16/h3-8,14H,9-13H2,1-2H3,(H,20,21,22)
InChIKeyYGRCDAXYNISEDT-UHFFFAOYSA-N
XLogP3.01
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896582
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890151
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112900262
4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 44548366
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165662
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine (CID 112883380) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CNc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is YGRCDAXYNISEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-14(2)13-21-18-20-8-7-17(22-18)24-11-9-23(10-12-24)16-5-3-15(19)4-6-16/h3-8,14H,9-13H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 329.42 g/mol, XLogP of 3.01, 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-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112883380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).