4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol

C14H18N4O3 — CID 12577396

IUPAC4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1O
InChIInChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18)
InChIKeyOWESLNUTAHNAGR-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds4

About 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol

4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol (PubChem CID 12577396) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol
PubChem CID12577396
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1O
InChIInChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18)
InChIKeyOWESLNUTAHNAGR-UHFFFAOYSA-N
XLogP1.26
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol 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 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol (CID 12577396) is 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol is COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1O.
What is the InChIKey of 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol?
The InChIKey is OWESLNUTAHNAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol?
4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol has a molecular weight of 290.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 12577396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).