4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one

C7H11N3OS — CID 175434146

IUPAC4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one
SMILESCCC(S)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H11N3OS/c1-2-4(12)7-9-5(8)3-6(11)10-7/h3-4,12H,2H2,1H3,(H3,8,9,10,11)
InChIKeyIESUGFZBLBIOJP-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.73
Rot. Bonds2

About 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one

4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one (PubChem CID 175434146) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one
PubChem CID175434146
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one
SMILESCCC(S)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H11N3OS/c1-2-4(12)7-9-5(8)3-6(11)10-7/h3-4,12H,2H2,1H3,(H3,8,9,10,11)
InChIKeyIESUGFZBLBIOJP-UHFFFAOYSA-N
XLogP0.73
TPSA71.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 2-butyl-4-hydroxy-6-mercapto-
CID 23423879
Pyrimidine, 2-butyl-4-hydroxy-6-methylthio-
CID 171384224
6-Mercapto-2-methyl-4(3H)-pyrimidinone
CID 45080344
6-Amino-2-ethylpyrimidin-4(1H)-one
CID 135900864
4-hydroxy-2-(sulfanylmethyl)-1H-pyrimidin-6-one
CID 117879731
2-Methyl-6-(methylthio)-4(1H)-pyrimidinone
CID 133614478
4-methylsulfanyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 133681990
4-amino-2-ethyl-5-sulfanyl-1H-pyrimidin-6-one
CID 135737560
4-methyl-2-(sulfanylmethyl)-1H-pyrimidin-6-one
CID 136058271
4-amino-2-(sulfanylmethyl)-1H-pyrimidin-6-one
CID 136482764
2-(2-sulfanylethyl)-1H-pyrimidin-6-one
CID 141304458
2-(1-sulfanylethyl)-1H-pyrimidin-6-one
CID 155019617

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one (CID 175434146) is 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one is CCC(S)c1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one?
The InChIKey is IESUGFZBLBIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-2-4(12)7-9-5(8)3-6(11)10-7/h3-4,12H,2H2,1H3,(H3,8,9,10,11).
What are the key properties of 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one?
4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one has a molecular weight of 185.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 175434146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).