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

C7H10ClN5O — CID 10976855

IUPAC2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine
SMILESCOc1nc(C)nc(Cl)c1N=C(N)N
InChIInChI=1S/C7H10ClN5O/c1-3-11-5(8)4(13-7(9)10)6(12-3)14-2/h1-2H3,(H4,9,10,13)
InChIKeyYZDDEJHYCSOJSQ-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.35
Rot. Bonds2

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

2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine (PubChem CID 10976855) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine.

Molecular Properties

Compound Name2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine
PubChem CID10976855
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC Name2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine
SMILESCOc1nc(C)nc(Cl)c1N=C(N)N
InChIInChI=1S/C7H10ClN5O/c1-3-11-5(8)4(13-7(9)10)6(12-3)14-2/h1-2H3,(H4,9,10,13)
InChIKeyYZDDEJHYCSOJSQ-UHFFFAOYSA-N
XLogP0.35
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine?
The IUPAC name of 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine (CID 10976855) is 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine.
What is the SMILES notation for 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine?
The canonical SMILES for 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine is COc1nc(C)nc(Cl)c1N=C(N)N.
What is the InChIKey of 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine?
The InChIKey is YZDDEJHYCSOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O/c1-3-11-5(8)4(13-7(9)10)6(12-3)14-2/h1-2H3,(H4,9,10,13).
What are the key properties of 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine?
2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine has a molecular weight of 215.64 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)guanidine is sourced from PubChem (CID 10976855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).