2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol

C16H18N4O — CID 134151763

IUPAC2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol
SMILESOCCN1C(NCc2ccccc2)=NCc2cccnc21
InChIInChI=1S/C16H18N4O/c21-10-9-20-15-14(7-4-8-17-15)12-19-16(20)18-11-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,18,19)
InChIKeyHSOXZFRMEJKHRR-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.54
Rot. Bonds4

About 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol

2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol (PubChem CID 134151763) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol
PubChem CID134151763
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol
SMILESOCCN1C(NCc2ccccc2)=NCc2cccnc21
InChIInChI=1S/C16H18N4O/c21-10-9-20-15-14(7-4-8-17-15)12-19-16(20)18-11-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,18,19)
InChIKeyHSOXZFRMEJKHRR-UHFFFAOYSA-N
XLogP1.54
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol (CID 134151763) is 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol is OCCN1C(NCc2ccccc2)=NCc2cccnc21.
What is the InChIKey of 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol?
The InChIKey is HSOXZFRMEJKHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-10-9-20-15-14(7-4-8-17-15)12-19-16(20)18-11-13-5-2-1-3-6-13/h1-8,21H,9-12H2,(H,18,19).
What are the key properties of 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol?
2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol has a molecular weight of 282.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)-4H-pyrido[2,3-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 134151763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).