(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea

C7H9ClN4OS — CID 11053523

IUPAC(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea
SMILESCOc1nc(C)nc(Cl)c1NC(N)=S
InChIInChI=1S/C7H9ClN4OS/c1-3-10-5(8)4(12-7(9)14)6(11-3)13-2/h1-2H3,(H3,9,12,14)
InChIKeyKJVTZOSBIUTSNY-UHFFFAOYSA-N
MW232.70 g/mol
LogP1.10
Rot. Bonds2

About (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea

(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea (PubChem CID 11053523) has the molecular formula C7H9ClN4OS and a molecular weight of 232.70 g/mol. Its IUPAC name is (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea.

Molecular Properties

Compound Name(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea
PubChem CID11053523
Molecular FormulaC7H9ClN4OS
Molecular Weight232.70 g/mol
Exact Mass232.02
IUPAC Name(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea
SMILESCOc1nc(C)nc(Cl)c1NC(N)=S
InChIInChI=1S/C7H9ClN4OS/c1-3-10-5(8)4(12-7(9)14)6(11-3)13-2/h1-2H3,(H3,9,12,14)
InChIKeyKJVTZOSBIUTSNY-UHFFFAOYSA-N
XLogP1.10
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea?
The IUPAC name of (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea (CID 11053523) is (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea.
What is the SMILES notation for (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea?
The canonical SMILES for (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea is COc1nc(C)nc(Cl)c1NC(N)=S.
What is the InChIKey of (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea?
The InChIKey is KJVTZOSBIUTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4OS/c1-3-10-5(8)4(12-7(9)14)6(11-3)13-2/h1-2H3,(H3,9,12,14).
What are the key properties of (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea?
(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea has a molecular weight of 232.70 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methoxy-2-methylpyrimidin-5-yl)thiourea is sourced from PubChem (CID 11053523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).