4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine

C20H15FN6S — CID 90313708

IUPAC4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)17-9-26-19(23)10-25-17)13-3-1-2-4-18(13)28-20-16(22)8-24-11-27-20/h1-11H,22H2,(H2,23,26)
InChIKeyYWCFGHMOWRGCJK-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.06
Rot. Bonds4

About 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine

4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine (PubChem CID 90313708) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine
PubChem CID90313708
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)17-9-26-19(23)10-25-17)13-3-1-2-4-18(13)28-20-16(22)8-24-11-27-20/h1-11H,22H2,(H2,23,26)
InChIKeyYWCFGHMOWRGCJK-UHFFFAOYSA-N
XLogP4.06
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)pyrimidine
CID 11256060
2-(Pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)pyrimidine
CID 11450419
6-Benzyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274324
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-6-methylsulfanylpyrido[3,4-d]pyrimidin-4-amine
CID 146197334
5-[4-(2-Cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
CID 90313746
5-{3-Fluoro-2''-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl]biphenyl-4-yl}pyrazin-2-amine
CID 90314130
4-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine
CID 90314245
6-(2-methylsulfanylphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 155517886
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine
CID 155518287
N-(3-fluorophenyl)-9-thia-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine
CID 155522654
2-(Phenylsulfanyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 58972606
(2S)-1-N-[7-[4-(aminomethyl)phenyl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596433

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine?
The IUPAC name of 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine (CID 90313708) is 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine is Nc1cnc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1.
What is the InChIKey of 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine?
The InChIKey is YWCFGHMOWRGCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)17-9-26-19(23)10-25-17)13-3-1-2-4-18(13)28-20-16(22)8-24-11-27-20/h1-11H,22H2,(H2,23,26).
What are the key properties of 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine?
4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine has a molecular weight of 390.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-5-amine is sourced from PubChem (CID 90313708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).