5-chloro-4-methoxy-6-methylpyrimidin-2-amine

C6H8ClN3O — CID 13097302

IUPAC5-chloro-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1nc(N)nc(C)c1Cl
InChIInChI=1S/C6H8ClN3O/c1-3-4(7)5(11-2)10-6(8)9-3/h1-2H3,(H2,8,9,10)
InChIKeyRDIQPZHNURKTAE-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.03
Rot. Bonds1

About 5-chloro-4-methoxy-6-methylpyrimidin-2-amine

5-chloro-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 13097302) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-chloro-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID13097302
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name5-chloro-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1nc(N)nc(C)c1Cl
InChIInChI=1S/C6H8ClN3O/c1-3-4(7)5(11-2)10-6(8)9-3/h1-2H3,(H2,8,9,10)
InChIKeyRDIQPZHNURKTAE-UHFFFAOYSA-N
XLogP1.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-methoxy-6-methylpyrimidin-2-amine (CID 13097302) is 5-chloro-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-methoxy-6-methylpyrimidin-2-amine is COc1nc(N)nc(C)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is RDIQPZHNURKTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-3-4(7)5(11-2)10-6(8)9-3/h1-2H3,(H2,8,9,10).
What are the key properties of 5-chloro-4-methoxy-6-methylpyrimidin-2-amine?
5-chloro-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 173.60 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 13097302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).