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

C16H22N4O — CID 13112736

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol
SMILESCCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O
InChIInChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)
InChIKeyVLYJATOLYFZNCF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds5

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

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol (PubChem CID 13112736) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol
PubChem CID13112736
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol
SMILESCCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O
InChIInChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)
InChIKeyVLYJATOLYFZNCF-UHFFFAOYSA-N
XLogP2.45
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
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-ethyl-6-propylphenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol (CID 13112736) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol is CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol?
The InChIKey is VLYJATOLYFZNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol has a molecular weight of 286.38 g/mol, XLogP of 2.45, 5 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-ethyl-6-propylphenol is sourced from PubChem (CID 13112736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).