4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

C24H27F2N7 — CID 19153662

IUPAC4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1c(N2CCN(c3ccccc3F)CC2)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H27F2N7/c25-18-5-1-3-7-20(18)30-9-13-32(14-10-30)23-22(27)24(29-17-28-23)33-15-11-31(12-16-33)21-8-4-2-6-19(21)26/h1-8,17H,9-16,27H2
InChIKeyOBSGAUOZKMCGII-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.99
Rot. Bonds4

About 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 19153662) has the molecular formula C24H27F2N7 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID19153662
Molecular FormulaC24H27F2N7
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1c(N2CCN(c3ccccc3F)CC2)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H27F2N7/c25-18-5-1-3-7-20(18)30-9-13-32(14-10-30)23-22(27)24(29-17-28-23)33-15-11-31(12-16-33)21-8-4-2-6-19(21)26/h1-8,17H,9-16,27H2
InChIKeyOBSGAUOZKMCGII-UHFFFAOYSA-N
XLogP2.99
TPSA64.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398
4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19145631
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147854
4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153689
5-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575715
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19153457
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144818
4-N-(1,3-benzothiazol-2-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146024
4-N-(2,5-dimethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19142781
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (CID 19153662) is 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is Nc1c(N2CCN(c3ccccc3F)CC2)ncnc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is OBSGAUOZKMCGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7/c25-18-5-1-3-7-20(18)30-9-13-32(14-10-30)23-22(27)24(29-17-28-23)33-15-11-31(12-16-33)21-8-4-2-6-19(21)26/h1-8,17H,9-16,27H2.
What are the key properties of 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 451.53 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 19153662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).