2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one

C16H15IN4O — CID 10294727

IUPAC2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)ccc2cnc(Nc3cccc(I)c3)nc21
InChIInChI=1S/C16H15IN4O/c1-2-8-21-14(22)7-6-11-10-18-16(20-15(11)21)19-13-5-3-4-12(17)9-13/h3-7,9-10H,2,8H2,1H3,(H,18,19,20)
InChIKeyVYERMBARJRQMMG-UHFFFAOYSA-N
MW406.23 g/mol
LogP3.55
Rot. Bonds4

About 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one

2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10294727) has the molecular formula C16H15IN4O and a molecular weight of 406.23 g/mol. Its IUPAC name is 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10294727
Molecular FormulaC16H15IN4O
Molecular Weight406.23 g/mol
Exact Mass406.03
IUPAC Name2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)ccc2cnc(Nc3cccc(I)c3)nc21
InChIInChI=1S/C16H15IN4O/c1-2-8-21-14(22)7-6-11-10-18-16(20-15(11)21)19-13-5-3-4-12(17)9-13/h3-7,9-10H,2,8H2,1H3,(H,18,19,20)
InChIKeyVYERMBARJRQMMG-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 10267671
2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70112446
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
2-(4-hydroxy-3,5-dimethylanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70113254
2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70112013
2-anilino-8-(2-naphthalen-2-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 18375323
2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374901
8-butyl-2-[4-chloro-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10157613
8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330206
8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330218
2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374812
benzene;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159793843

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one (CID 10294727) is 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one is CCCn1c(=O)ccc2cnc(Nc3cccc(I)c3)nc21.
What is the InChIKey of 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VYERMBARJRQMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O/c1-2-8-21-14(22)7-6-11-10-18-16(20-15(11)21)19-13-5-3-4-12(17)9-13/h3-7,9-10H,2,8H2,1H3,(H,18,19,20).
What are the key properties of 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one?
2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 406.23 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10294727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).