5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine

C11H11FN4S — CID 145191435

IUPAC5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine
SMILESCC(Cc1ncc(F)cn1)Sc1ncccn1
InChIInChI=1S/C11H11FN4S/c1-8(17-11-13-3-2-4-14-11)5-10-15-6-9(12)7-16-10/h2-4,6-8H,5H2,1H3
InChIKeyDQHKFZFPBQCFSM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.13
Rot. Bonds4

About 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine

5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine (PubChem CID 145191435) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine
PubChem CID145191435
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine
SMILESCC(Cc1ncc(F)cn1)Sc1ncccn1
InChIInChI=1S/C11H11FN4S/c1-8(17-11-13-3-2-4-14-11)5-10-15-6-9(12)7-16-10/h2-4,6-8H,5H2,1H3
InChIKeyDQHKFZFPBQCFSM-UHFFFAOYSA-N
XLogP2.13
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-{[(5-methyl-2-pyrimidinyl)thio]methyl}-4-pyrimidinamine
CID 1251567
4-(Pyrimidin-2-yl)thiomorpholine
CID 868189
2-(Ethylsulfanyl)pyrimidine
CID 12764701
4-Pyrimidinamine, 2,2'-(1,3-propanediylbis(thio))bis-
CID 3078954
Pyrimidine, 2-[(1-methylethyl)thio]-
CID 20275280
[Dimethyl(3-pyrimidin-2-ylsulfanylpropyl)silyl]oxy-dimethyl-(3-pyrimidin-2-ylsulfanylpropyl)silane
CID 465311
Fluor oethylthiopyrimidine
CID 119088079
2-(Allylthio)pyrimidine
CID 3680572
Pyrimidine, 2,2'-[methylenebis(thio)]bis-
CID 12059680
Di(2-pyrimidinyl) sulfide
CID 13357482
Methylendipyrimidin
CID 20195977
1,3-Bis(pyrimidin-2-ylsulfanyl)propan-2-one
CID 54246689

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine?
The IUPAC name of 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine (CID 145191435) is 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine is CC(Cc1ncc(F)cn1)Sc1ncccn1.
What is the InChIKey of 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine?
The InChIKey is DQHKFZFPBQCFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c1-8(17-11-13-3-2-4-14-11)5-10-15-6-9(12)7-16-10/h2-4,6-8H,5H2,1H3.
What are the key properties of 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine?
5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine has a molecular weight of 250.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-pyrimidin-2-ylsulfanylpropyl)pyrimidine is sourced from PubChem (CID 145191435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).