N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide

C8H9N3O3S — CID 3728354

IUPACN-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1c(O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C8H9N3O3S/c12-5(9-3-1-2-3)4-6(13)10-8(15)11-7(4)14/h3H,1-2H2,(H,9,12)(H3,10,11,13,14,15)
InChIKeyDHSICKBMNGDWFI-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.03
Rot. Bonds2

About N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide

N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide (PubChem CID 3728354) has the molecular formula C8H9N3O3S and a molecular weight of 227.24 g/mol. Its IUPAC name is N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
PubChem CID3728354
Molecular FormulaC8H9N3O3S
Molecular Weight227.24 g/mol
Exact Mass227.04
IUPAC NameN-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1c(O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C8H9N3O3S/c12-5(9-3-1-2-3)4-6(13)10-8(15)11-7(4)14/h3H,1-2H2,(H,9,12)(H3,10,11,13,14,15)
InChIKeyDHSICKBMNGDWFI-UHFFFAOYSA-N
XLogP0.03
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide (CID 3728354) is N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide is O=C(NC1CC1)c1c(O)[nH]c(=S)[nH]c1=O.
What is the InChIKey of N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
The InChIKey is DHSICKBMNGDWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c12-5(9-3-1-2-3)4-6(13)10-8(15)11-7(4)14/h3H,1-2H2,(H,9,12)(H3,10,11,13,14,15).
What are the key properties of N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide?
N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide has a molecular weight of 227.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3728354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).