2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine

C7H14N2S — CID 151923681

IUPAC2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine
SMILESCC1=NCC(C)(C)CN1S
InChIInChI=1S/C7H14N2S/c1-6-8-4-7(2,3)5-9(6)10/h10H,4-5H2,1-3H3
InChIKeySXHLOCGEGWOPGT-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.59
Rot. Bonds

About 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine

2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine (PubChem CID 151923681) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine
PubChem CID151923681
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine
SMILESCC1=NCC(C)(C)CN1S
InChIInChI=1S/C7H14N2S/c1-6-8-4-7(2,3)5-9(6)10/h10H,4-5H2,1-3H3
InChIKeySXHLOCGEGWOPGT-UHFFFAOYSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', '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-Fluoro-2,5,5-trimethyl-4,6-dihydropyrimidine
CID 141967899
(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite
CID 142051036
1-Ethyl-1,4,5,6-tetrahydro-2-methylpyrimidine
CID 12762324
2-methyl-1-sulfanyl-5,6-dihydro-4H-pyrimidine
CID 20217718
1,2,5-trimethyl-5,6-dihydro-4H-pyrimidine
CID 20277931
2,5-dimethyl-5,6-dihydro-4H-pyrimidin-3-ide;rutherfordium
CID 59894841
1,2,5,5-Tetramethyl-4,6-dihydropyrimidine
CID 145060110
1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 150196935
N'-methyl-N-propyl-N-sulfanylethanimidamide
CID 174331691
2-ethyl-1-sulfanyl-5,6-dihydro-4H-pyrimidine;hydrobromide
CID 21514463

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine?
The IUPAC name of 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine (CID 151923681) is 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine.
What is the SMILES notation for 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine?
The canonical SMILES for 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine is CC1=NCC(C)(C)CN1S.
What is the InChIKey of 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine?
The InChIKey is SXHLOCGEGWOPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6-8-4-7(2,3)5-9(6)10/h10H,4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine?
2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine has a molecular weight of 158.27 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-sulfanyl-4,6-dihydropyrimidine is sourced from PubChem (CID 151923681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).