6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C14H17BrN4O2 — CID 59258867

IUPAC6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(Br)c(=O)n(CC3CCOC3)c2n1
InChIInChI=1S/C14H17BrN4O2/c1-8-10-5-11(15)13(20)19(6-9-3-4-21-7-9)12(10)18-14(16-2)17-8/h5,9H,3-4,6-7H2,1-2H3,(H,16,17,18)
InChIKeyYMOGCRAJRORJRN-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.94
Rot. Bonds3

About 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258867) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258867
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(Br)c(=O)n(CC3CCOC3)c2n1
InChIInChI=1S/C14H17BrN4O2/c1-8-10-5-11(15)13(20)19(6-9-3-4-21-7-9)12(10)18-14(16-2)17-8/h5,9H,3-4,6-7H2,1-2H3,(H,16,17,18)
InChIKeyYMOGCRAJRORJRN-UHFFFAOYSA-N
XLogP1.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 59258867) is 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CNc1nc(C)c2cc(Br)c(=O)n(CC3CCOC3)c2n1.
What is the InChIKey of 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YMOGCRAJRORJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-8-10-5-11(15)13(20)19(6-9-3-4-21-7-9)12(10)18-14(16-2)17-8/h5,9H,3-4,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 353.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).