5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine

C13H16N4O — CID 14999843

IUPAC5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCc1cccc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C13H16N4O/c1-18-8-10-4-2-3-9(5-10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17)
InChIKeyAWRSFYZUXOPKGI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds4

About 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine

5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 14999843) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID14999843
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCc1cccc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C13H16N4O/c1-18-8-10-4-2-3-9(5-10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17)
InChIKeyAWRSFYZUXOPKGI-UHFFFAOYSA-N
XLogP1.38
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(methoxymethyl)phenyl]methyl]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-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 14999843) is 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine is COCc1cccc(Cc2cnc(N)nc2N)c1.
What is the InChIKey of 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is AWRSFYZUXOPKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-8-10-4-2-3-9(5-10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).