4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol

C13H16N4O — CID 13112728

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cnc(N)nc2N)cc(C)c1O
InChIInChI=1S/C13H16N4O/c1-7-3-9(4-8(2)11(7)18)5-10-6-16-13(15)17-12(10)14/h3-4,6,18H,5H2,1-2H3,(H4,14,15,16,17)
InChIKeyJWSXYKJRCWICKV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.55
Rot. Bonds2

About 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol (PubChem CID 13112728) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol
PubChem CID13112728
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cnc(N)nc2N)cc(C)c1O
InChIInChI=1S/C13H16N4O/c1-7-3-9(4-8(2)11(7)18)5-10-6-16-13(15)17-12(10)14/h3-4,6,18H,5H2,1-2H3,(H4,14,15,16,17)
InChIKeyJWSXYKJRCWICKV-UHFFFAOYSA-N
XLogP1.55
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol (CID 13112728) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol is Cc1cc(Cc2cnc(N)nc2N)cc(C)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol?
The InChIKey is JWSXYKJRCWICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-3-9(4-8(2)11(7)18)5-10-6-16-13(15)17-12(10)14/h3-4,6,18H,5H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol has a molecular weight of 244.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 13112728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).