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

C6H8ClN3O — CID 4537748

IUPAC4-chloro-6-methoxy-2-methylpyrimidin-5-amine
SMILESCOc1nc(C)nc(Cl)c1N
InChIInChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(10-3)11-2/h8H2,1-2H3
InChIKeyXOPAFBPYRUSQNI-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.03
Rot. Bonds1

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

4-chloro-6-methoxy-2-methylpyrimidin-5-amine (PubChem CID 4537748) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-methylpyrimidin-5-amine
PubChem CID4537748
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name4-chloro-6-methoxy-2-methylpyrimidin-5-amine
SMILESCOc1nc(C)nc(Cl)c1N
InChIInChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(10-3)11-2/h8H2,1-2H3
InChIKeyXOPAFBPYRUSQNI-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 4-chloro-6-methoxy-2-methylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-methoxy-2-methylpyrimidin-5-amine (CID 4537748) is 4-chloro-6-methoxy-2-methylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-methoxy-2-methylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-methoxy-2-methylpyrimidin-5-amine is COc1nc(C)nc(Cl)c1N.
What is the InChIKey of 4-chloro-6-methoxy-2-methylpyrimidin-5-amine?
The InChIKey is XOPAFBPYRUSQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(10-3)11-2/h8H2,1-2H3.
What are the key properties of 4-chloro-6-methoxy-2-methylpyrimidin-5-amine?
4-chloro-6-methoxy-2-methylpyrimidin-5-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 4-chloro-6-methoxy-2-methylpyrimidin-5-amine is sourced from PubChem (CID 4537748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).