4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine

C18H16FN5S — CID 56886548

IUPAC4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine
SMILESNc1nc(Sc2ccc(F)cc2)cc(N2CC(c3cccnc3)C2)n1
InChIInChI=1S/C18H16FN5S/c19-14-3-5-15(6-4-14)25-17-8-16(22-18(20)23-17)24-10-13(11-24)12-2-1-7-21-9-12/h1-9,13H,10-11H2,(H2,20,22,23)
InChIKeyDPCGBDDXMMVLCL-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.35
Rot. Bonds4

About 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine

4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine (PubChem CID 56886548) has the molecular formula C18H16FN5S and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine
PubChem CID56886548
Molecular FormulaC18H16FN5S
Molecular Weight353.43 g/mol
Exact Mass353.11
IUPAC Name4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine
SMILESNc1nc(Sc2ccc(F)cc2)cc(N2CC(c3cccnc3)C2)n1
InChIInChI=1S/C18H16FN5S/c19-14-3-5-15(6-4-14)25-17-8-16(22-18(20)23-17)24-10-13(11-24)12-2-1-7-21-9-12/h1-9,13H,10-11H2,(H2,20,22,23)
InChIKeyDPCGBDDXMMVLCL-UHFFFAOYSA-N
XLogP3.35
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methyl-6-[(4-methylphenyl)thio]-2-(2-pyridyl)pyrimidine
CID 2725934
2-(Pyridin-2-yl)-4-(m-tolylthio)pyrimidine
CID 11460152
N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methylsulfanylpyrimidin-2-amine
CID 49857686
2-(Pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)pyrimidine
CID 11256060
2-(Pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)pyrimidine
CID 11450419
4-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine
CID 90314245
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
CID 3740868
5-fluoro-2-(2-propan-2-ylphenyl)-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 60167844
4-[4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 145979057
5-(2-Fluoro-4-{2-[(1-methylethyl)sulfonyl]pyridin-3-yl}phenyl)pyrimidin-2-amine
CID 90312419
6-[2-[4-(2-Aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
CID 90312682
5-(3-Fluoro-6'-(pyrimidin-2-ylthio)biphenyl-4-yl)pyrimidin-2-amine
CID 90312993

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine (CID 56886548) is 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine is Nc1nc(Sc2ccc(F)cc2)cc(N2CC(c3cccnc3)C2)n1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine?
The InChIKey is DPCGBDDXMMVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5S/c19-14-3-5-15(6-4-14)25-17-8-16(22-18(20)23-17)24-10-13(11-24)12-2-1-7-21-9-12/h1-9,13H,10-11H2,(H2,20,22,23).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine?
4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine has a molecular weight of 353.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-6-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 56886548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).