5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C13H17BrN4O — CID 141182807

IUPAC5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2c(Br)cc(=O)n(C(C)C)c2n1
InChIInChI=1S/C13H17BrN4O/c1-5-15-13-16-8(4)11-9(14)6-10(19)18(7(2)3)12(11)17-13/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyIVHFSLCDULXTHC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.88
Rot. Bonds3

About 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 141182807) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID141182807
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2c(Br)cc(=O)n(C(C)C)c2n1
InChIInChI=1S/C13H17BrN4O/c1-5-15-13-16-8(4)11-9(14)6-10(19)18(7(2)3)12(11)17-13/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyIVHFSLCDULXTHC-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
6-Bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258867
2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 59258868
2-Amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258869
2-amino-6-bromo-4-methyl-8-(tetrahydrofuran-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258940
2-Amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258999
2-Amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59259006
3-[8-Cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
CID 59258902
6-(2-{[2-(Dimethylamino)-5,6-dimethylpyrimidin-4-YL]amino}ethyl)-2-methylpyrimidin-4-OL
CID 136069341
2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
8-Ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 123436499
CID 163509323
CID 163509323

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 141182807) is 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2c(Br)cc(=O)n(C(C)C)c2n1.
What is the InChIKey of 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IVHFSLCDULXTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-5-15-13-16-8(4)11-9(14)6-10(19)18(7(2)3)12(11)17-13/h6-7H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 325.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141182807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).