5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine

C12H14N4O2 — CID 516674

IUPAC5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCOc1ccc(COc2cnc(N)nc2N)cc1
InChIInChI=1S/C12H14N4O2/c1-17-9-4-2-8(3-5-9)7-18-10-6-15-12(14)16-11(10)13/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeyUBPUPPMUXQKNQJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.23
Rot. Bonds4

About 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine

5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 516674) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID516674
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCOc1ccc(COc2cnc(N)nc2N)cc1
InChIInChI=1S/C12H14N4O2/c1-17-9-4-2-8(3-5-9)7-18-10-6-15-12(14)16-11(10)13/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeyUBPUPPMUXQKNQJ-UHFFFAOYSA-N
XLogP1.23
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine (CID 516674) is 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine is COc1ccc(COc2cnc(N)nc2N)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is UBPUPPMUXQKNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-17-9-4-2-8(3-5-9)7-18-10-6-15-12(14)16-11(10)13/h2-6H,7H2,1H3,(H4,13,14,15,16).
What are the key properties of 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 246.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 516674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).