2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol

C8H17N3OS — CID 164647866

IUPAC2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCSC(C)CNC1=NCC(O)CN1
InChIInChI=1S/C8H17N3OS/c1-6(13-2)3-9-8-10-4-7(12)5-11-8/h6-7,12H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyUXGDNCNTDWWZSI-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.35
Rot. Bonds3

About 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol

2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 164647866) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID164647866
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCSC(C)CNC1=NCC(O)CN1
InChIInChI=1S/C8H17N3OS/c1-6(13-2)3-9-8-10-4-7(12)5-11-8/h6-7,12H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyUXGDNCNTDWWZSI-UHFFFAOYSA-N
XLogP-0.35
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (CID 164647866) is 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is CSC(C)CNC1=NCC(O)CN1.
What is the InChIKey of 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is UXGDNCNTDWWZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-6(13-2)3-9-8-10-4-7(12)5-11-8/h6-7,12H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 203.31 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpropylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 164647866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).