5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol

C19H20N4O2 — CID 147335866

IUPAC5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(O)c1-c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-25-16-10-12(8-14-11-22-19(21)23-18(14)20)9-15(24)17(16)13-6-4-3-5-7-13/h3-7,9-11,24H,2,8H2,1H3,(H4,20,21,22,23)
InChIKeyDCNXHNLURNSPBB-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.00
Rot. Bonds5

About 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol

5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol (PubChem CID 147335866) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol.

Molecular Properties

Compound Name5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol
PubChem CID147335866
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol
SMILESCCOc1cc(Cc2cnc(N)nc2N)cc(O)c1-c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-25-16-10-12(8-14-11-22-19(21)23-18(14)20)9-15(24)17(16)13-6-4-3-5-7-13/h3-7,9-11,24H,2,8H2,1H3,(H4,20,21,22,23)
InChIKeyDCNXHNLURNSPBB-UHFFFAOYSA-N
XLogP3.00
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 70131470
5-[[3-ethoxy-4-[4-(methylamino)phenyl]-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22637002
5-[[3,5-diethoxy-4-(3-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22637054
5-[[3,5-diethoxy-4-(furan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636965
5-[(3-ethoxy-4-iodo-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 22636806
5-[[4-(3-amino-4-fluorophenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22637019
N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]phenyl]methanesulfonamide
CID 22637026
5-[[3-ethoxy-4-(4-methoxyphenyl)-5-propan-2-yloxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22636903
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267
[2-(3-aminophenyl)-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxyphenyl]methyl-methylsulfamic acid
CID 150396989
5-[[3-ethoxy-5-(3-methoxy-2,2-dimethylpropoxy)-4-(4-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22636928
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol?
The IUPAC name of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol (CID 147335866) is 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol.
What is the SMILES notation for 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol?
The canonical SMILES for 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol is CCOc1cc(Cc2cnc(N)nc2N)cc(O)c1-c1ccccc1.
What is the InChIKey of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol?
The InChIKey is DCNXHNLURNSPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-25-16-10-12(8-14-11-22-19(21)23-18(14)20)9-15(24)17(16)13-6-4-3-5-7-13/h3-7,9-11,24H,2,8H2,1H3,(H4,20,21,22,23).
What are the key properties of 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol?
5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol has a molecular weight of 336.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-phenylphenol is sourced from PubChem (CID 147335866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).