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

C16H19N3O2 — CID 81228728

IUPAC4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCOc1ccc(Oc2ncnc3c2CNCC3)cc1
InChIInChI=1S/C16H19N3O2/c1-2-9-20-12-3-5-13(6-4-12)21-16-14-10-17-8-7-15(14)18-11-19-16/h3-6,11,17H,2,7-10H2,1H3
InChIKeyDRKBRGACENPDQG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.70
Rot. Bonds5

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

4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81228728) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81228728
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCOc1ccc(Oc2ncnc3c2CNCC3)cc1
InChIInChI=1S/C16H19N3O2/c1-2-9-20-12-3-5-13(6-4-12)21-16-14-10-17-8-7-15(14)18-11-19-16/h3-6,11,17H,2,7-10H2,1H3
InChIKeyDRKBRGACENPDQG-UHFFFAOYSA-N
XLogP2.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223650
4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222865
4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222870
4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228724
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222869
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144787
3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873
4-butoxy-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219192
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106779446

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81228728) is 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCCOc1ccc(Oc2ncnc3c2CNCC3)cc1.
What is the InChIKey of 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is DRKBRGACENPDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-9-20-12-3-5-13(6-4-12)21-16-14-10-17-8-7-15(14)18-11-19-16/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 285.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81228728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).