6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C17H24BrN5O — CID 57448430

IUPAC6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCN3CCCCC3)c2n1
InChIInChI=1S/C17H24BrN5O/c1-3-19-17-20-12(2)13-11-14(18)16(24)23(15(13)21-17)10-9-22-7-5-4-6-8-22/h11H,3-10H2,1-2H3,(H,19,20,21)
InChIKeyYYUQBZSKMAVNRJ-UHFFFAOYSA-N
MW394.32 g/mol
LogP2.78
Rot. Bonds5

About 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 57448430) has the molecular formula C17H24BrN5O and a molecular weight of 394.32 g/mol. Its IUPAC name is 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID57448430
Molecular FormulaC17H24BrN5O
Molecular Weight394.32 g/mol
Exact Mass393.12
IUPAC Name6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CCN3CCCCC3)c2n1
InChIInChI=1S/C17H24BrN5O/c1-3-19-17-20-12(2)13-11-14(18)16(24)23(15(13)21-17)10-9-22-7-5-4-6-8-22/h11H,3-10H2,1-2H3,(H,19,20,21)
InChIKeyYYUQBZSKMAVNRJ-UHFFFAOYSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 57448430) is 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(Br)c(=O)n(CCN3CCCCC3)c2n1.
What is the InChIKey of 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YYUQBZSKMAVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5O/c1-3-19-17-20-12(2)13-11-14(18)16(24)23(15(13)21-17)10-9-22-7-5-4-6-8-22/h11H,3-10H2,1-2H3,(H,19,20,21).
What are the key properties of 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 394.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylamino)-4-methyl-8-(2-piperidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 57448430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).