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

C20H22N4O3 — CID 19081535

IUPAC[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(-c2ccc(CO)cc2)c1OC
InChIInChI=1S/C20H22N4O3/c1-26-17-9-13(7-15-10-23-20(22)24-19(15)21)8-16(18(17)27-2)14-5-3-12(11-25)4-6-14/h3-6,8-10,25H,7,11H2,1-2H3,(H4,21,22,23,24)
InChIKeyVNLXNRVGQTVLDZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.41
Rot. Bonds6

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

[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol (PubChem CID 19081535) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol
PubChem CID19081535
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(-c2ccc(CO)cc2)c1OC
InChIInChI=1S/C20H22N4O3/c1-26-17-9-13(7-15-10-23-20(22)24-19(15)21)8-16(18(17)27-2)14-5-3-12(11-25)4-6-14/h3-6,8-10,25H,7,11H2,1-2H3,(H4,21,22,23,24)
InChIKeyVNLXNRVGQTVLDZ-UHFFFAOYSA-N
XLogP2.41
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.41
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]phenol
CID 19081616
[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
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-methoxyphenol;ethane
CID 142411421
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
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]acetonitrile
CID 23276126
N-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]-2-hydroxybenzamide
CID 19081551
methyl 4-[[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]carbamoyl]benzoate
CID 19081644

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol?
The IUPAC name of [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol (CID 19081535) is [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol.
What is the SMILES notation for [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol?
The canonical SMILES for [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol is COc1cc(Cc2cnc(N)nc2N)cc(-c2ccc(CO)cc2)c1OC.
What is the InChIKey of [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol?
The InChIKey is VNLXNRVGQTVLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-17-9-13(7-15-10-23-20(22)24-19(15)21)8-16(18(17)27-2)14-5-3-12(11-25)4-6-14/h3-6,8-10,25H,7,11H2,1-2H3,(H4,21,22,23,24).
What are the key properties of [4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol?
[4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenyl]methanol has a molecular weight of 366.42 g/mol, XLogP of 2.41, 6 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]phenyl]methanol is sourced from PubChem (CID 19081535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).