4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C20H17Cl2N5O — CID 118713822

IUPAC4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCN1C(=O)C(c2c(Cl)cccc2Cl)Cc2c(N)nc(Nc3ccccc3)nc21
InChIInChI=1S/C20H17Cl2N5O/c1-27-18-13(10-12(19(27)28)16-14(21)8-5-9-15(16)22)17(23)25-20(26-18)24-11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H3,23,24,25,26)
InChIKeyAHGSDSGHEDXXDI-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.41
Rot. Bonds3

About 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 118713822) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID118713822
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCN1C(=O)C(c2c(Cl)cccc2Cl)Cc2c(N)nc(Nc3ccccc3)nc21
InChIInChI=1S/C20H17Cl2N5O/c1-27-18-13(10-12(19(27)28)16-14(21)8-5-9-15(16)22)17(23)25-20(26-18)24-11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H3,23,24,25,26)
InChIKeyAHGSDSGHEDXXDI-UHFFFAOYSA-N
XLogP4.41
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

PD-180970
CID 5311104
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine-4-carboxamide (enantiomeric mix)
CID 46891330
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{[1-(propan-2-yl)piperidin-4-yl]amino}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 16043321
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2-dimethylpropyl)amino]-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647635
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
2-[(4-chlorophenyl)amino]-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327891
6-(2,6-dichlorophenyl)-8-methyl-2-[(4-methylphenyl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327893
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328707

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 118713822) is 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CN1C(=O)C(c2c(Cl)cccc2Cl)Cc2c(N)nc(Nc3ccccc3)nc21.
What is the InChIKey of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AHGSDSGHEDXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c1-27-18-13(10-12(19(27)28)16-14(21)8-5-9-15(16)22)17(23)25-20(26-18)24-11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H3,23,24,25,26).
What are the key properties of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 414.30 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118713822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).