4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol

C19H20N4O3 — CID 19081616

IUPAC4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(-c2ccc(O)cc2)c1OC
InChIInChI=1S/C19H20N4O3/c1-25-16-9-11(7-13-10-22-19(21)23-18(13)20)8-15(17(16)26-2)12-3-5-14(24)6-4-12/h3-6,8-10,24H,7H2,1-2H3,(H4,20,21,22,23)
InChIKeyGFFFPUQBCZYWTE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.62
Rot. Bonds5

About 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol

4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol (PubChem CID 19081616) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol.

Molecular Properties

Compound Name4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol
PubChem CID19081616
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(-c2ccc(O)cc2)c1OC
InChIInChI=1S/C19H20N4O3/c1-25-16-9-11(7-13-10-22-19(21)23-18(13)20)8-15(17(16)26-2)12-3-5-14(24)6-4-12/h3-6,8-10,24H,7H2,1-2H3,(H4,20,21,22,23)
InChIKeyGFFFPUQBCZYWTE-UHFFFAOYSA-N
XLogP2.62
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol
CID 19081535
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
2-[2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethynyl]naphthalene-1,7-diol
CID 67667220
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
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
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-2-hydroxybenzamide
CID 19081551
5-[[3-(6-ethynyl-2,3-dimethoxyphenyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 173318816
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752257
5-[[3-(ethoxymethoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 101196638

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol?
The IUPAC name of 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol (CID 19081616) is 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol.
What is the SMILES notation for 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol?
The canonical SMILES for 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol is COc1cc(Cc2cnc(N)nc2N)cc(-c2ccc(O)cc2)c1OC.
What is the InChIKey of 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol?
The InChIKey is GFFFPUQBCZYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-16-9-11(7-13-10-22-19(21)23-18(13)20)8-15(17(16)26-2)12-3-5-14(24)6-4-12/h3-6,8-10,24H,7H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol?
4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol has a molecular weight of 352.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol is sourced from PubChem (CID 19081616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).