2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine

C9H18N2OS — CID 163765314

IUPAC2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine
SMILESCCC(C)SC1=NCC(OC)CN1
InChIInChI=1S/C9H18N2OS/c1-4-7(2)13-9-10-5-8(12-3)6-11-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyMBTLAHKZJWOUCQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.49
Rot. Bonds3

About 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine

2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine (PubChem CID 163765314) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine
PubChem CID163765314
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine
SMILESCCC(C)SC1=NCC(OC)CN1
InChIInChI=1S/C9H18N2OS/c1-4-7(2)13-9-10-5-8(12-3)6-11-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyMBTLAHKZJWOUCQ-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
CID 20261899
N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338707
N-(2-methoxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148926
N-(1-methoxypropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148945
N-(3-ethoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148984
N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43153352
N-(1-methoxypropan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439704
4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439708
5-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43440137
N-(2-ethoxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43591357
N-(2-ethoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591371
N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61023164

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine (CID 163765314) is 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine is CCC(C)SC1=NCC(OC)CN1.
What is the InChIKey of 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine?
The InChIKey is MBTLAHKZJWOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-4-7(2)13-9-10-5-8(12-3)6-11-9/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine?
2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine has a molecular weight of 202.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-5-methoxy-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 163765314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).