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

C14H18N4O3 — CID 70937972

IUPAC[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(CO)c1OC
InChIInChI=1S/C14H18N4O3/c1-20-11-5-8(4-10(7-19)12(11)21-2)3-9-6-17-14(16)18-13(9)15/h4-6,19H,3,7H2,1-2H3,(H4,15,16,17,18)
InChIKeyPBNKYNZTJIOLAW-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.74
Rot. Bonds5

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

[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol (PubChem CID 70937972) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
PubChem CID70937972
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(CO)c1OC
InChIInChI=1S/C14H18N4O3/c1-20-11-5-8(4-10(7-19)12(11)21-2)3-9-6-17-14(16)18-13(9)15/h4-6,19H,3,7H2,1-2H3,(H4,15,16,17,18)
InChIKeyPBNKYNZTJIOLAW-UHFFFAOYSA-N
XLogP0.74
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.74
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-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol
CID 19081616
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
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
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]acetonitrile
CID 23276126
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
CID 71372579
5-[(3,5-dimethoxy-4-octoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 5279633
1,3-oxazole;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 67721896
3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 44531822

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol?
The IUPAC name of [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol (CID 70937972) is [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol.
What is the SMILES notation for [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol?
The canonical SMILES for [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol is COc1cc(Cc2cnc(N)nc2N)cc(CO)c1OC.
What is the InChIKey of [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol?
The InChIKey is PBNKYNZTJIOLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-11-5-8(4-10(7-19)12(11)21-2)3-9-6-17-14(16)18-13(9)15/h4-6,19H,3,7H2,1-2H3,(H4,15,16,17,18).
What are the key properties of [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol?
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol has a molecular weight of 290.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol is sourced from PubChem (CID 70937972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).