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

C13H15N3O2 — CID 62319679

IUPAC6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H15N3O2/c1-17-8-10-7-12(14)16-13(15-10)9-3-5-11(18-2)6-4-9/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyHVBKXPPPDXPCOQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.88
Rot. Bonds4

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

6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 62319679) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID62319679
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H15N3O2/c1-17-8-10-7-12(14)16-13(15-10)9-3-5-11(18-2)6-4-9/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyHVBKXPPPDXPCOQ-UHFFFAOYSA-N
XLogP1.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine (CID 62319679) is 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is HVBKXPPPDXPCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-8-10-7-12(14)16-13(15-10)9-3-5-11(18-2)6-4-9/h3-7H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine?
6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 245.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62319679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).