6-methyl-2-(phenoxymethyl)pyrimidin-4-amine

C12H13N3O — CID 611982

IUPAC6-methyl-2-(phenoxymethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(COc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-9-7-11(13)15-12(14-9)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15)
InChIKeyPPHDYGFHFWMZSQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.95
Rot. Bonds3

About 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine

6-methyl-2-(phenoxymethyl)pyrimidin-4-amine (PubChem CID 611982) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(phenoxymethyl)pyrimidin-4-amine
PubChem CID611982
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-methyl-2-(phenoxymethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(COc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-9-7-11(13)15-12(14-9)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15)
InChIKeyPPHDYGFHFWMZSQ-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine (CID 611982) is 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine is Cc1cc(N)nc(COc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine?
The InChIKey is PPHDYGFHFWMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-7-11(13)15-12(14-9)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15).
What are the key properties of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine?
6-methyl-2-(phenoxymethyl)pyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 611982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).