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

C7H15N3OS — CID 163948633

IUPAC2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCSC(C)NC1=NCC(O)CN1
InChIInChI=1S/C7H15N3OS/c1-5(12-2)10-7-8-3-6(11)4-9-7/h5-6,11H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyRXIYKMKHFSVVNS-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.39
Rot. Bonds2

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

2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 163948633) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID163948633
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCSC(C)NC1=NCC(O)CN1
InChIInChI=1S/C7H15N3OS/c1-5(12-2)10-7-8-3-6(11)4-9-7/h5-6,11H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyRXIYKMKHFSVVNS-UHFFFAOYSA-N
XLogP-0.39
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (CID 163948633) is 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is CSC(C)NC1=NCC(O)CN1.
What is the InChIKey of 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is RXIYKMKHFSVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-5(12-2)10-7-8-3-6(11)4-9-7/h5-6,11H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 189.28 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylethylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 163948633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).