4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C14H15N3O — CID 79023920

IUPAC4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1-c1ncnc2c1CNCC2
InChIInChI=1S/C14H15N3O/c1-18-13-5-3-2-4-10(13)14-11-8-15-7-6-12(11)16-9-17-14/h2-5,9,15H,6-8H2,1H3
InChIKeyZZIBCJOJZZOOKK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.80
Rot. Bonds2

About 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 79023920) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID79023920
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1-c1ncnc2c1CNCC2
InChIInChI=1S/C14H15N3O/c1-18-13-5-3-2-4-10(13)14-11-8-15-7-6-12(11)16-9-17-14/h2-5,9,15H,6-8H2,1H3
InChIKeyZZIBCJOJZZOOKK-UHFFFAOYSA-N
XLogP1.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 79023920) is 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1ccccc1-c1ncnc2c1CNCC2.
What is the InChIKey of 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ZZIBCJOJZZOOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-13-5-3-2-4-10(13)14-11-8-15-7-6-12(11)16-9-17-14/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 241.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 79023920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).