4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine

C18H22ClFN6O — CID 70960628

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)c(F)c(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C18H22ClFN6O/c19-13-3-1-2-4-14(13)24-5-7-25(8-6-24)16-15(20)17(23-18(21)22-16)26-9-11-27-12-10-26/h1-4H,5-12H2,(H2,21,22,23)
InChIKeyYYMVGVKUTILHOC-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.01
Rot. Bonds3

About 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine

4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 70960628) has the molecular formula C18H22ClFN6O and a molecular weight of 392.87 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID70960628
Molecular FormulaC18H22ClFN6O
Molecular Weight392.87 g/mol
Exact Mass392.15
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)c(F)c(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C18H22ClFN6O/c19-13-3-1-2-4-14(13)24-5-7-25(8-6-24)16-15(20)17(23-18(21)22-16)26-9-11-27-12-10-26/h1-4H,5-12H2,(H2,21,22,23)
InChIKeyYYMVGVKUTILHOC-UHFFFAOYSA-N
XLogP2.01
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine (CID 70960628) is 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine is Nc1nc(N2CCOCC2)c(F)c(N2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is YYMVGVKUTILHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN6O/c19-13-3-1-2-4-14(13)24-5-7-25(8-6-24)16-15(20)17(23-18(21)22-16)26-9-11-27-12-10-26/h1-4H,5-12H2,(H2,21,22,23).
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 392.87 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 70960628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).