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

C15H17N3O2 — CID 81222427

IUPAC4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1ccccc1Oc1ncnc2c1CNCC2
InChIInChI=1S/C15H17N3O2/c1-2-19-13-5-3-4-6-14(13)20-15-11-9-16-8-7-12(11)17-10-18-15/h3-6,10,16H,2,7-9H2,1H3
InChIKeyCLVSCAVVBUJYGB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.31
Rot. Bonds4

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

4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81222427) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81222427
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1ccccc1Oc1ncnc2c1CNCC2
InChIInChI=1S/C15H17N3O2/c1-2-19-13-5-3-4-6-14(13)20-15-11-9-16-8-7-12(11)17-10-18-15/h3-6,10,16H,2,7-9H2,1H3
InChIKeyCLVSCAVVBUJYGB-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-Methoxy-4-propoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 474750
[2-(3,4-Dimethoxy-phenyl)-ethyl]-(4-ethoxy-6-methyl-pyrimidin-2-yl)-amine
CID 646275
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 5738285
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028071
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methylbenzyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 16028339
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028344
6-[(4-Ethoxy-3-methoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 44366644
N-cyclopropyl-4-(1-(2-((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)ethyl)piperidin-3-yl)pyrimidin-2-amine
CID 44591263
4-N-butyl-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 145979707
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-6-[(2-ethoxyphenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-amine
CID 16028075
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-6-[(4-ethoxyphenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-amine
CID 16028077
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-ethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028079

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81222427) is 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOc1ccccc1Oc1ncnc2c1CNCC2.
What is the InChIKey of 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CLVSCAVVBUJYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-19-13-5-3-4-6-14(13)20-15-11-9-16-8-7-12(11)17-10-18-15/h3-6,10,16H,2,7-9H2,1H3.
What are the key properties of 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81222427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).