4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine

C13H15N3O — CID 796119

IUPAC4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine
SMILESCc1cc(C)nc(NOCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-8-11(2)15-13(14-10)16-17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyIZQRXPYELZNDMU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.64
Rot. Bonds4

About 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine

4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine (PubChem CID 796119) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine
PubChem CID796119
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine
SMILESCc1cc(C)nc(NOCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-10-8-11(2)15-13(14-10)16-17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyIZQRXPYELZNDMU-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine (CID 796119) is 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine is Cc1cc(C)nc(NOCc2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine?
The InChIKey is IZQRXPYELZNDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-8-11(2)15-13(14-10)16-17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine?
4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine has a molecular weight of 229.28 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 4,6-dimethyl-N-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 796119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).