6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine

C20H19ClFN5 — CID 112863146

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine
SMILESFc1cccc(Nc2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)c1
InChIInChI=1S/C20H19ClFN5/c21-15-3-1-6-18(11-15)26-7-9-27(10-8-26)20-13-19(23-14-24-20)25-17-5-2-4-16(22)12-17/h1-6,11-14H,7-10H2,(H,23,24,25)
InChIKeyBPDCGNXZXCQURT-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.34
Rot. Bonds4

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine (PubChem CID 112863146) has the molecular formula C20H19ClFN5 and a molecular weight of 383.86 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine
PubChem CID112863146
Molecular FormulaC20H19ClFN5
Molecular Weight383.86 g/mol
Exact Mass383.13
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine
SMILESFc1cccc(Nc2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)c1
InChIInChI=1S/C20H19ClFN5/c21-15-3-1-6-18(11-15)26-7-9-27(10-8-26)20-13-19(23-14-24-20)25-17-5-2-4-16(22)12-17/h1-6,11-14H,7-10H2,(H,23,24,25)
InChIKeyBPDCGNXZXCQURT-UHFFFAOYSA-N
XLogP4.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112863144
4-[6-(3-fluoroanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858341
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
CID 90545095
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
[6-(3-fluoroanilino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352947
N-(1,3-benzodioxol-5-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112862343
1-(3-chlorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544025
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine (CID 112863146) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine is Fc1cccc(Nc2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)c1.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine?
The InChIKey is BPDCGNXZXCQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5/c21-15-3-1-6-18(11-15)26-7-9-27(10-8-26)20-13-19(23-14-24-20)25-17-5-2-4-16(22)12-17/h1-6,11-14H,7-10H2,(H,23,24,25).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine?
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine has a molecular weight of 383.86 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 112863146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).