(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite

C5H9FN2S — CID 142051036

IUPAC(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite
SMILESCC1=NCCCN1SF
InChIInChI=1S/C5H9FN2S/c1-5-7-3-2-4-8(5)9-6/h2-4H2,1H3
InChIKeyQDTGUELONUAWMP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.64
Rot. Bonds1

About (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite

(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite (PubChem CID 142051036) has the molecular formula C5H9FN2S and a molecular weight of 148.21 g/mol. Its IUPAC name is (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite
PubChem CID142051036
Molecular FormulaC5H9FN2S
Molecular Weight148.21 g/mol
Exact Mass148.05
IUPAC Name(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite
SMILESCC1=NCCCN1SF
InChIInChI=1S/C5H9FN2S/c1-5-7-3-2-4-8(5)9-6/h2-4H2,1H3
InChIKeyQDTGUELONUAWMP-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
1-Ethyl-1,4,5,6-tetrahydro-2-methylpyrimidine
CID 12762324
2-methyl-1-sulfanyl-5,6-dihydro-4H-pyrimidine
CID 20217718
1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 150196935
2,5,5-Trimethyl-1-sulfanyl-4,6-dihydropyrimidine
CID 151923681
N'-methyl-N-propyl-N-sulfanylethanimidamide
CID 174331691
2-ethyl-1-sulfanyl-5,6-dihydro-4H-pyrimidine;hydrobromide
CID 21514463
2-ethyl-1-sulfanyl-5,6-dihydro-4H-pyrimidine
CID 21514464

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite?
The IUPAC name of (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite (CID 142051036) is (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite.
What is the SMILES notation for (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite?
The canonical SMILES for (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite is CC1=NCCCN1SF.
What is the InChIKey of (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite?
The InChIKey is QDTGUELONUAWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2S/c1-5-7-3-2-4-8(5)9-6/h2-4H2,1H3.
What are the key properties of (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite?
(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite has a molecular weight of 148.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite is sourced from PubChem (CID 142051036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).