6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine

C11H13N3OS — CID 62320799

IUPAC6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2sccc2C)n1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-16-10(7)11-13-8(6-15-2)5-9(12)14-11/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyZKFALPZXGXTTAV-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.24
Rot. Bonds3

About 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine

6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 62320799) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID62320799
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2sccc2C)n1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-16-10(7)11-13-8(6-15-2)5-9(12)14-11/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyZKFALPZXGXTTAV-UHFFFAOYSA-N
XLogP2.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine (CID 62320799) is 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine is COCc1cc(N)nc(-c2sccc2C)n1.
What is the InChIKey of 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is ZKFALPZXGXTTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-16-10(7)11-13-8(6-15-2)5-9(12)14-11/h3-5H,6H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 235.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62320799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).