2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine

C15H16FN3S — CID 80989965

IUPAC2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C15H16FN3S/c1-9-13(17-2)18-14(10-3-4-10)19-15(9)20-12-7-5-11(16)6-8-12/h5-8,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyYMQHMQODJMFIAS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.99
Rot. Bonds4

About 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80989965) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80989965
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C15H16FN3S/c1-9-13(17-2)18-14(10-3-4-10)19-15(9)20-12-7-5-11(16)6-8-12/h5-8,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyYMQHMQODJMFIAS-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 81000447
[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001101
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
CID 80994586
5-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80990298
[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001755
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820
2-cyclopropyl-N,5-dimethyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975742
4-chloro-2-cyclopropyl-5-methyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80970415
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765069
2-cyclopropyl-4-N-(4-fluoro-3-methylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80985427

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine (CID 80989965) is 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(Sc2ccc(F)cc2)c1C.
What is the InChIKey of 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is YMQHMQODJMFIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c1-9-13(17-2)18-14(10-3-4-10)19-15(9)20-12-7-5-11(16)6-8-12/h5-8,10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80989965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).