5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine

C15H18ClN3O2 — CID 71850426

IUPAC5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine
SMILESCCOCc1ccc(CNc2nc(OC)ncc2Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-21-10-12-6-4-11(5-7-12)8-17-14-13(16)9-18-15(19-14)20-2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyIGNVEAGUOYOGHK-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.29
Rot. Bonds7

About 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine

5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine (PubChem CID 71850426) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine
PubChem CID71850426
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine
SMILESCCOCc1ccc(CNc2nc(OC)ncc2Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-21-10-12-6-4-11(5-7-12)8-17-14-13(16)9-18-15(19-14)20-2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyIGNVEAGUOYOGHK-UHFFFAOYSA-N
XLogP3.29
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine (CID 71850426) is 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine is CCOCc1ccc(CNc2nc(OC)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine?
The InChIKey is IGNVEAGUOYOGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-21-10-12-6-4-11(5-7-12)8-17-14-13(16)9-18-15(19-14)20-2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine?
5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine has a molecular weight of 307.78 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 71850426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).