2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol

C16H16N4O — CID 110433912

IUPAC2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1ncnc2ncccc12
InChIInChI=1S/C16H16N4O/c21-10-9-20(11-13-5-2-1-3-6-13)16-14-7-4-8-17-15(14)18-12-19-16/h1-8,12,21H,9-11H2
InChIKeyGICFPRNEPYZCJR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.02
Rot. Bonds5

About 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 110433912) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID110433912
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1ncnc2ncccc12
InChIInChI=1S/C16H16N4O/c21-10-9-20(11-13-5-2-1-3-6-13)16-14-7-4-8-17-15(14)18-12-19-16/h1-8,12,21H,9-11H2
InChIKeyGICFPRNEPYZCJR-UHFFFAOYSA-N
XLogP2.02
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 28848522
2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80908418
2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 63727847
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133383867
3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62929910
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol
CID 80796932
2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
CID 107541913
N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine
CID 86803034

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 110433912) is 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol is OCCN(Cc1ccccc1)c1ncnc2ncccc12.
What is the InChIKey of 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is GICFPRNEPYZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-10-9-20(11-13-5-2-1-3-6-13)16-14-7-4-8-17-15(14)18-12-19-16/h1-8,12,21H,9-11H2.
What are the key properties of 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 280.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 110433912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).