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

C14H15N3O2 — CID 81222600

IUPAC4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1cccc(Oc2ncnc3c2CNCC3)c1
InChIInChI=1S/C14H15N3O2/c1-18-10-3-2-4-11(7-10)19-14-12-8-15-6-5-13(12)16-9-17-14/h2-4,7,9,15H,5-6,8H2,1H3
InChIKeyWKKUBBQDPCDDIZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.92
Rot. Bonds3

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

4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81222600) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81222600
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1cccc(Oc2ncnc3c2CNCC3)c1
InChIInChI=1S/C14H15N3O2/c1-18-10-3-2-4-11(7-10)19-14-12-8-15-6-5-13(12)16-9-17-14/h2-4,7,9,15H,5-6,8H2,1H3
InChIKeyWKKUBBQDPCDDIZ-UHFFFAOYSA-N
XLogP1.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222870
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228728
4-[4-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228729
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
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
CID 62831524
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228724
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62833852
4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223650
5-iodo-4-(3-methoxyphenoxy)pyrimidine
CID 66320020

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81222600) is 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1cccc(Oc2ncnc3c2CNCC3)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is WKKUBBQDPCDDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-10-3-2-4-11(7-10)19-14-12-8-15-6-5-13(12)16-9-17-14/h2-4,7,9,15H,5-6,8H2,1H3.
What are the key properties of 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 257.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81222600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).