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

C14H15ClFN5 — CID 23477613

IUPAC4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H15ClFN5/c15-13-12(17)14(19-9-18-13)21-7-5-20(6-8-21)11-4-2-1-3-10(11)16/h1-4,9H,5-8,17H2
InChIKeyQGDGFWYBKDIXSJ-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.18
Rot. Bonds2

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

4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 23477613) has the molecular formula C14H15ClFN5 and a molecular weight of 307.76 g/mol. Its IUPAC name is 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID23477613
Molecular FormulaC14H15ClFN5
Molecular Weight307.76 g/mol
Exact Mass307.10
IUPAC Name4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H15ClFN5/c15-13-12(17)14(19-9-18-13)21-7-5-20(6-8-21)11-4-2-1-3-10(11)16/h1-4,9H,5-8,17H2
InChIKeyQGDGFWYBKDIXSJ-UHFFFAOYSA-N
XLogP2.18
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
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
8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 3798373
4-N-(1,3-benzothiazol-2-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146024
4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
CID 63155391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (CID 23477613) is 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is Nc1c(Cl)ncnc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is QGDGFWYBKDIXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5/c15-13-12(17)14(19-9-18-13)21-7-5-20(6-8-21)11-4-2-1-3-10(11)16/h1-4,9H,5-8,17H2.
What are the key properties of 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 307.76 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 23477613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).