5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

C20H22N4O2 — CID 11046337

IUPAC5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-2-25-18-11-15(10-16-12-23-20(22)24-19(16)21)8-9-17(18)26-13-14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H4,21,22,23,24)
InChIKeyQBQZTCRZECEEGK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds7

About 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 11046337) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID11046337
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-2-25-18-11-15(10-16-12-23-20(22)24-19(16)21)8-9-17(18)26-13-14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H4,21,22,23,24)
InChIKeyQBQZTCRZECEEGK-UHFFFAOYSA-N
XLogP3.21
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 11046337) is 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1.
What is the InChIKey of 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QBQZTCRZECEEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-25-18-11-15(10-16-12-23-20(22)24-19(16)21)8-9-17(18)26-13-14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H4,21,22,23,24).
What are the key properties of 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 350.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11046337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).