4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C15H17N3O2 — CID 81222870

IUPAC4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCc1cccc(Oc2ncnc3c2CNCC3)c1
InChIInChI=1S/C15H17N3O2/c1-19-9-11-3-2-4-12(7-11)20-15-13-8-16-6-5-14(13)17-10-18-15/h2-4,7,10,16H,5-6,8-9H2,1H3
InChIKeyLZDYHFAUNZLMLD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.06
Rot. Bonds4

About 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81222870) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81222870
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCc1cccc(Oc2ncnc3c2CNCC3)c1
InChIInChI=1S/C15H17N3O2/c1-19-9-11-3-2-4-12(7-11)20-15-13-8-16-6-5-14(13)17-10-18-15/h2-4,7,10,16H,5-6,8-9H2,1H3
InChIKeyLZDYHFAUNZLMLD-UHFFFAOYSA-N
XLogP2.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222600
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228728
4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222427
4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222865
5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
CID 114071639
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
4-[4-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228729
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
CID 62831524
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228724
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81222870) is 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COCc1cccc(Oc2ncnc3c2CNCC3)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LZDYHFAUNZLMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-9-11-3-2-4-12(7-11)20-15-13-8-16-6-5-14(13)17-10-18-15/h2-4,7,10,16H,5-6,8-9H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81222870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).