2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine

C14H17N3O — CID 104846807

IUPAC2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(COC)nc(-c2ccccc2)c1C
InChIInChI=1S/C14H17N3O/c1-10-13(11-7-5-4-6-8-11)16-12(9-18-3)17-14(10)15-2/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyNHELIDUAYMXOIC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.64
Rot. Bonds4

About 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine

2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine (PubChem CID 104846807) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
PubChem CID104846807
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(COC)nc(-c2ccccc2)c1C
InChIInChI=1S/C14H17N3O/c1-10-13(11-7-5-4-6-8-11)16-12(9-18-3)17-14(10)15-2/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyNHELIDUAYMXOIC-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine (CID 104846807) is 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine is CNc1nc(COC)nc(-c2ccccc2)c1C.
What is the InChIKey of 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The InChIKey is NHELIDUAYMXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13(11-7-5-4-6-8-11)16-12(9-18-3)17-14(10)15-2/h4-8H,9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 104846807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).