2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol

C24H38N4O — CID 71206457

IUPAC2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol
SMILESCCC(CC)CN1CCc2c(ncnc2NCC(O)C23CC4CCCC(C2)C43)C1
InChIInChI=1S/C24H38N4O/c1-3-16(4-2)13-28-9-8-19-20(14-28)26-15-27-23(19)25-12-21(29)24-10-17-6-5-7-18(11-24)22(17)24/h15-18,21-22,29H,3-14H2,1-2H3,(H,25,26,27)
InChIKeyYKFKFYULVIQSIU-UHFFFAOYSA-N
MW398.60 g/mol
LogP3.87
Rot. Bonds8

About 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol

2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol (PubChem CID 71206457) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol.

Molecular Properties

Compound Name2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol
PubChem CID71206457
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol
SMILESCCC(CC)CN1CCc2c(ncnc2NCC(O)C23CC4CCCC(C2)C43)C1
InChIInChI=1S/C24H38N4O/c1-3-16(4-2)13-28-9-8-19-20(14-28)26-15-27-23(19)25-12-21(29)24-10-17-6-5-7-18(11-24)22(17)24/h15-18,21-22,29H,3-14H2,1-2H3,(H,25,26,27)
InChIKeyYKFKFYULVIQSIU-UHFFFAOYSA-N
XLogP3.87
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol?
The IUPAC name of 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol (CID 71206457) is 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol.
What is the SMILES notation for 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol?
The canonical SMILES for 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol is CCC(CC)CN1CCc2c(ncnc2NCC(O)C23CC4CCCC(C2)C43)C1.
What is the InChIKey of 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol?
The InChIKey is YKFKFYULVIQSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-3-16(4-2)13-28-9-8-19-20(14-28)26-15-27-23(19)25-12-21(29)24-10-17-6-5-7-18(11-24)22(17)24/h15-18,21-22,29H,3-14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol?
2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol has a molecular weight of 398.60 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-1-(3-tricyclo[3.3.1.03,9]nonanyl)ethanol is sourced from PubChem (CID 71206457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).