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

C21H24N4O4 — CID 70131470

IUPAC5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(O)c1-c1ccc(OC)cc1OC
InChIInChI=1S/C21H24N4O4/c1-4-29-18-9-12(7-13-11-24-21(23)25-20(13)22)8-16(26)19(18)15-6-5-14(27-2)10-17(15)28-3/h5-6,8-11,26H,4,7H2,1-3H3,(H4,22,23,24,25)
InChIKeyPMFKHSOWVCAMSI-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.02
Rot. Bonds7

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

5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol (PubChem CID 70131470) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol.

Molecular Properties

Compound Name5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol
PubChem CID70131470
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(O)c1-c1ccc(OC)cc1OC
InChIInChI=1S/C21H24N4O4/c1-4-29-18-9-12(7-13-11-24-21(23)25-20(13)22)8-16(26)19(18)15-6-5-14(27-2)10-17(15)28-3/h5-6,8-11,26H,4,7H2,1-3H3,(H4,22,23,24,25)
InChIKeyPMFKHSOWVCAMSI-UHFFFAOYSA-N
XLogP3.02
TPSA125.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol
CID 147335866
5-[[3,5-diethoxy-4-(3-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22637054
5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propan-2-yloxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22636903
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
5-[[3-ethoxy-5-(3-methoxy-2,2-dimethylpropoxy)-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636928
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636965
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-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]phenol
CID 19081616
5-[[4-(3-amino-4-fluorophenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22637019

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol?
The IUPAC name of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol (CID 70131470) is 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol.
What is the SMILES notation for 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol?
The canonical SMILES for 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol is CCOc1cc(Cc2cnc(N)nc2N)cc(O)c1-c1ccc(OC)cc1OC.
What is the InChIKey of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol?
The InChIKey is PMFKHSOWVCAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-29-18-9-12(7-13-11-24-21(23)25-20(13)22)8-16(26)19(18)15-6-5-14(27-2)10-17(15)28-3/h5-6,8-11,26H,4,7H2,1-3H3,(H4,22,23,24,25).
What are the key properties of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol?
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol has a molecular weight of 396.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol is sourced from PubChem (CID 70131470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).