4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one

C21H17Cl2N5O2 — CID 118289643

IUPAC4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1nc(Nc2ccccc2)nc2c1cc(-c1c(Cl)cccc1Cl)c(=O)n2CCO
InChIInChI=1S/C21H17Cl2N5O2/c22-15-7-4-8-16(23)17(15)13-11-14-18(24)26-21(25-12-5-2-1-3-6-12)27-19(14)28(9-10-29)20(13)30/h1-8,11,29H,9-10H2,(H3,24,25,26,27)
InChIKeyBOSFAYJDEISLDB-UHFFFAOYSA-N
MW442.31 g/mol
LogP4.08
Rot. Bonds5

About 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one

4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118289643) has the molecular formula C21H17Cl2N5O2 and a molecular weight of 442.31 g/mol. Its IUPAC name is 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID118289643
Molecular FormulaC21H17Cl2N5O2
Molecular Weight442.31 g/mol
Exact Mass441.08
IUPAC Name4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1nc(Nc2ccccc2)nc2c1cc(-c1c(Cl)cccc1Cl)c(=O)n2CCO
InChIInChI=1S/C21H17Cl2N5O2/c22-15-7-4-8-16(23)17(15)13-11-14-18(24)26-21(25-12-5-2-1-3-6-12)27-19(14)28(9-10-29)20(13)30/h1-8,11,29H,9-10H2,(H3,24,25,26,27)
InChIKeyBOSFAYJDEISLDB-UHFFFAOYSA-N
XLogP4.08
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one (CID 118289643) is 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one is Nc1nc(Nc2ccccc2)nc2c1cc(-c1c(Cl)cccc1Cl)c(=O)n2CCO.
What is the InChIKey of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BOSFAYJDEISLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2/c22-15-7-4-8-16(23)17(15)13-11-14-18(24)26-21(25-12-5-2-1-3-6-12)27-19(14)28(9-10-29)20(13)30/h1-8,11,29H,9-10H2,(H3,24,25,26,27).
What are the key properties of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 442.31 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118289643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).