4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane

C14H20N4O2 — CID 142411421

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
SMILESCC.COc1cc(Cc2cnc(N)nc2N)ccc1O
InChIInChI=1S/C12H14N4O2.C2H6/c1-18-10-5-7(2-3-9(10)17)4-8-6-15-12(14)16-11(8)13;1-2/h2-3,5-6,17H,4H2,1H3,(H4,13,14,15,16);1-2H3
InChIKeyZDRBMLGFIKOZOS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.97
Rot. Bonds3

About 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane (PubChem CID 142411421) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
PubChem CID142411421
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
SMILESCC.COc1cc(Cc2cnc(N)nc2N)ccc1O
InChIInChI=1S/C12H14N4O2.C2H6/c1-18-10-5-7(2-3-9(10)17)4-8-6-15-12(14)16-11(8)13;1-2/h2-3,5-6,17H,4H2,1H3,(H4,13,14,15,16);1-2H3
InChIKeyZDRBMLGFIKOZOS-UHFFFAOYSA-N
XLogP1.97
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 3078601
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
CID 71372579
5-[(3-butoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11403887
5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-propoxyphenol
CID 23470807
5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 71650296
5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999854
4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol
CID 19081616
[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol
CID 19081535
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane (CID 142411421) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane is CC.COc1cc(Cc2cnc(N)nc2N)ccc1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane?
The InChIKey is ZDRBMLGFIKOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.C2H6/c1-18-10-5-7(2-3-9(10)17)4-8-6-15-12(14)16-11(8)13;1-2/h2-3,5-6,17H,4H2,1H3,(H4,13,14,15,16);1-2H3.
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane has a molecular weight of 276.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane is sourced from PubChem (CID 142411421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).