6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

C9H13N3O3S — CID 690915

IUPAC6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1CN1CCOCC1
InChIInChI=1S/C9H13N3O3S/c13-7-6(8(14)11-9(16)10-7)5-12-1-3-15-4-2-12/h1-5H2,(H3,10,11,13,14,16)
InChIKeyCVXZAFPIPPLYLJ-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.03
Rot. Bonds2

About 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 690915) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID690915
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1CN1CCOCC1
InChIInChI=1S/C9H13N3O3S/c13-7-6(8(14)11-9(16)10-7)5-12-1-3-15-4-2-12/h1-5H2,(H3,10,11,13,14,16)
InChIKeyCVXZAFPIPPLYLJ-UHFFFAOYSA-N
XLogP-0.03
TPSA81.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 690915) is 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]c(O)c1CN1CCOCC1.
What is the InChIKey of 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is CVXZAFPIPPLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-7-6(8(14)11-9(16)10-7)5-12-1-3-15-4-2-12/h1-5H2,(H3,10,11,13,14,16).
What are the key properties of 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 243.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 690915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).