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

C17H21N3O — CID 81228724

IUPAC4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCC(C)c1ccccc1Oc1ncnc2c1CNCC2
InChIInChI=1S/C17H21N3O/c1-3-12(2)13-6-4-5-7-16(13)21-17-14-10-18-9-8-15(14)19-11-20-17/h4-7,11-12,18H,3,8-10H2,1-2H3
InChIKeyBPWIBKIHNABSOV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.43
Rot. Bonds4

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

4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81228724) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81228724
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCC(C)c1ccccc1Oc1ncnc2c1CNCC2
InChIInChI=1S/C17H21N3O/c1-3-12(2)13-6-4-5-7-16(13)21-17-14-10-18-9-8-15(14)19-11-20-17/h4-7,11-12,18H,3,8-10H2,1-2H3
InChIKeyBPWIBKIHNABSOV-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222427
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228728
4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222600
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-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80881551
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102722365
4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol
CID 81041796
6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80881297
2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882566

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81228724) is 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCC(C)c1ccccc1Oc1ncnc2c1CNCC2.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is BPWIBKIHNABSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-12(2)13-6-4-5-7-16(13)21-17-14-10-18-9-8-15(14)19-11-20-17/h4-7,11-12,18H,3,8-10H2,1-2H3.
What are the key properties of 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81228724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).