2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol

C15H20N4O2 — CID 44592032

IUPAC2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol
SMILESOCCOc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C15H20N4O2/c20-6-7-21-14-8-12-13(9-16-14)17-10-18-15(12)19-11-4-2-1-3-5-11/h8-11,20H,1-7H2,(H,17,18,19)
InChIKeyAOBQCCYDDDKTOQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol

2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol (PubChem CID 44592032) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol
PubChem CID44592032
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol
SMILESOCCOc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C15H20N4O2/c20-6-7-21-14-8-12-13(9-16-14)17-10-18-15(12)19-11-4-2-1-3-5-11/h8-11,20H,1-7H2,(H,17,18,19)
InChIKeyAOBQCCYDDDKTOQ-UHFFFAOYSA-N
XLogP2.14
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol 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-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol?
The IUPAC name of 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol (CID 44592032) is 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol.
What is the SMILES notation for 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol?
The canonical SMILES for 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol is OCCOc1cc2c(NC3CCCCC3)ncnc2cn1.
What is the InChIKey of 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol?
The InChIKey is AOBQCCYDDDKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-6-7-21-14-8-12-13(9-16-14)17-10-18-15(12)19-11-4-2-1-3-5-11/h8-11,20H,1-7H2,(H,17,18,19).
What are the key properties of 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol?
2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol has a molecular weight of 288.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethanol is sourced from PubChem (CID 44592032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).