8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one

C9H8N6O — CID 175774539

IUPAC8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one
SMILES[N-]=[N+]=NCCn1c(=O)ccc2cncnc21
InChIInChI=1S/C9H8N6O/c10-14-13-3-4-15-8(16)2-1-7-5-11-6-12-9(7)15/h1-2,5-6H,3-4H2
InChIKeyYXVQWCSWJPEQDO-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.10
Rot. Bonds3

About 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one

8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175774539) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID175774539
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one
SMILES[N-]=[N+]=NCCn1c(=O)ccc2cncnc21
InChIInChI=1S/C9H8N6O/c10-14-13-3-4-15-8(16)2-1-7-5-11-6-12-9(7)15/h1-2,5-6H,3-4H2
InChIKeyYXVQWCSWJPEQDO-UHFFFAOYSA-N
XLogP1.10
TPSA96.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 14
CID 5330200
Pyrido[2,3-d]pyrimidin-7-ol
CID 10012049
2-(Piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178090
2-[(1-Methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178089
8-Ethyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 10560946
8-methyl-2-(methylsulfanyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 10750835
2-Aminopyrido[2,3-d]pyrimidin-7(8H)-one
CID 5373808
6-Amino-2,8-Dimethylpyrido[2,3-D]pyrimidin-7(8h)-One
CID 72201016
4-(dimethylamino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 91812682

Frequently Asked Questions

What is the IUPAC name of 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one (CID 175774539) is 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one is [N-]=[N+]=NCCn1c(=O)ccc2cncnc21.
What is the InChIKey of 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YXVQWCSWJPEQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c10-14-13-3-4-15-8(16)2-1-7-5-11-6-12-9(7)15/h1-2,5-6H,3-4H2.
What are the key properties of 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one?
8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 216.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-azidoethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175774539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).