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

C18H24FN5 — CID 112883711

IUPACN-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCC(C)Nc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H24FN5/c1-3-14(2)21-18-20-9-8-17(22-18)24-12-10-23(11-13-24)16-6-4-15(19)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,20,21,22)
InChIKeyLYLJQISADLEBAO-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.15
Rot. Bonds5

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

N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112883711) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112883711
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC NameN-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCC(C)Nc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H24FN5/c1-3-14(2)21-18-20-9-8-17(22-18)24-12-10-23(11-13-24)16-6-4-15(19)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,20,21,22)
InChIKeyLYLJQISADLEBAO-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
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-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
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-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890151
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112900262
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112883711) is N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine is CCC(C)Nc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is LYLJQISADLEBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-3-14(2)21-18-20-9-8-17(22-18)24-12-10-23(11-13-24)16-6-4-15(19)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,20,21,22).
What are the key properties of N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine?
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 329.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112883711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).