2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol

C20H23N5O2 — CID 11772954

IUPAC2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)
InChIKeyQFBGUCZGHVJUGC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.02
Rot. Bonds8

About 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol

2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol (PubChem CID 11772954) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol
PubChem CID11772954
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)
InChIKeyQFBGUCZGHVJUGC-UHFFFAOYSA-N
XLogP2.02
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol (CID 11772954) is 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol is OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1.
What is the InChIKey of 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol?
The InChIKey is QFBGUCZGHVJUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25).
What are the key properties of 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol?
2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol has a molecular weight of 365.44 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 11772954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).