2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine

C9H16N2OS — CID 130985323

IUPAC2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(SCC2CCOC2)NC1
InChIInChI=1S/C9H16N2OS/c1-3-10-9(11-4-1)13-7-8-2-5-12-6-8/h8H,1-7H2,(H,10,11)
InChIKeyLHBAIVJFWYPMNY-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.11
Rot. Bonds2

About 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine

2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 130985323) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID130985323
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(SCC2CCOC2)NC1
InChIInChI=1S/C9H16N2OS/c1-3-10-9(11-4-1)13-7-8-2-5-12-6-8/h8H,1-7H2,(H,10,11)
InChIKeyLHBAIVJFWYPMNY-UHFFFAOYSA-N
XLogP1.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-ylmethylsulfanyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137195218
N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride
CID 23619328
N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120967393
3-(cyclohexylsulfanylmethyl)oxolane
CID 127013309
2-[3-methyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 65294691
3-(thiophen-2-ylsulfanylmethyl)oxolane
CID 130622094
3-(ethylsulfanylmethyl)oxolane
CID 130928771
2-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-1,4,5,6-tetrahydropyrimidine
CID 8875396
N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 113294275
5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid
CID 63943182
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
[4-benzyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 121494237

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine (CID 130985323) is 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine is C1CN=C(SCC2CCOC2)NC1.
What is the InChIKey of 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is LHBAIVJFWYPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-10-9(11-4-1)13-7-8-2-5-12-6-8/h8H,1-7H2,(H,10,11).
What are the key properties of 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 200.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 130985323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).