6-chloro-2-(methoxymethyl)pyrimidin-4-amine

C6H8ClN3O — CID 55264672

IUPAC6-chloro-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Cl)n1
InChIInChI=1S/C6H8ClN3O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3,(H2,8,9,10)
InChIKeyJEOBFTOIMFEXNK-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.86
Rot. Bonds2

About 6-chloro-2-(methoxymethyl)pyrimidin-4-amine

6-chloro-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 55264672) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 6-chloro-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID55264672
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name6-chloro-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Cl)n1
InChIInChI=1S/C6H8ClN3O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3,(H2,8,9,10)
InChIKeyJEOBFTOIMFEXNK-UHFFFAOYSA-N
XLogP0.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(methoxymethyl)pyrimidin-4-amine (CID 55264672) is 6-chloro-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is JEOBFTOIMFEXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-11-3-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3,(H2,8,9,10).
What are the key properties of 6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
6-chloro-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 173.60 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 55264672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).