6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine

C20H15FN6OS — CID 138712024

IUPAC6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine
SMILESNc1cc(S(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1
InChIInChI=1S/C20H15FN6OS/c21-16-7-12(5-6-14(16)13-9-24-20(23)25-10-13)15-3-1-2-4-17(15)29(28)19-8-18(22)26-11-27-19/h1-11H,(H2,22,26,27)(H2,23,24,25)
InChIKeyOUBHPTOAWXNWDG-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.07
Rot. Bonds4

About 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine

6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine (PubChem CID 138712024) has the molecular formula C20H15FN6OS and a molecular weight of 406.45 g/mol. Its IUPAC name is 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine
PubChem CID138712024
Molecular FormulaC20H15FN6OS
Molecular Weight406.45 g/mol
Exact Mass406.10
IUPAC Name6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine
SMILESNc1cc(S(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1
InChIInChI=1S/C20H15FN6OS/c21-16-7-12(5-6-14(16)13-9-24-20(23)25-10-13)15-3-1-2-4-17(15)29(28)19-8-18(22)26-11-27-19/h1-11H,(H2,22,26,27)(H2,23,24,25)
InChIKeyOUBHPTOAWXNWDG-UHFFFAOYSA-N
XLogP3.07
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-fluoro-4-(2-methylsulfinylphenyl)phenyl]pyrimidin-2-amine
CID 137396080
5-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]pyrimidin-2-amine
CID 144679120
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(2-oxopyrrolidin-3-yl)benzenesulfinamide
CID 138711629
N-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]pyrrolidine-1-sulfinamide
CID 137396073
5-[2-fluoro-4-(2-pyrimidin-2-yloxyphenyl)phenyl]pyrimidin-2-amine
CID 90314938
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylpyrimidin-4-amine
CID 90313696
1-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]propan-2-one
CID 123818234
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
CID 90313950
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 123963220
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonyl-2-methylpropanamide
CID 90314595
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]-6-methylpyrimidin-4-amine
CID 90314624
5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine
CID 137395622

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine?
The IUPAC name of 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine (CID 138712024) is 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine is Nc1cc(S(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1.
What is the InChIKey of 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine?
The InChIKey is OUBHPTOAWXNWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6OS/c21-16-7-12(5-6-14(16)13-9-24-20(23)25-10-13)15-3-1-2-4-17(15)29(28)19-8-18(22)26-11-27-19/h1-11H,(H2,22,26,27)(H2,23,24,25).
What are the key properties of 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine?
6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine has a molecular weight of 406.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfinylpyrimidin-4-amine is sourced from PubChem (CID 138712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).