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

C17H18N4O2 — CID 5330240

IUPAC2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C17H18N4O2/c1-2-23-11-10-21-15(22)9-8-13-12-18-17(20-16(13)21)19-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,18,19,20)
InChIKeyORVZGMRYPIALKB-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.57
Rot. Bonds6

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

2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330240) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330240
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C17H18N4O2/c1-2-23-11-10-21-15(22)9-8-13-12-18-17(20-16(13)21)19-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,18,19,20)
InChIKeyORVZGMRYPIALKB-UHFFFAOYSA-N
XLogP2.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Narazaciclib
CID 56649281
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one (CID 5330240) is 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one is CCOCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ORVZGMRYPIALKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-23-11-10-21-15(22)9-8-13-12-18-17(20-16(13)21)19-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,18,19,20).
What are the key properties of 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 310.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(2-ethoxyethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).