6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C14H21BrN4O — CID 69009692

IUPAC6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(C)c2c(n1)N(CCOCC)CC(Br)=C2
InChIInChI=1S/C14H21BrN4O/c1-4-16-14-17-10(3)12-8-11(15)9-19(13(12)18-14)6-7-20-5-2/h8H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyFSFZWEJSPGGTKN-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.81
Rot. Bonds6

About 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine

6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 69009692) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID69009692
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(C)c2c(n1)N(CCOCC)CC(Br)=C2
InChIInChI=1S/C14H21BrN4O/c1-4-16-14-17-10(3)12-8-11(15)9-19(13(12)18-14)6-7-20-5-2/h8H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyFSFZWEJSPGGTKN-UHFFFAOYSA-N
XLogP2.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 69009692) is 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is CCNc1nc(C)c2c(n1)N(CCOCC)CC(Br)=C2.
What is the InChIKey of 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is FSFZWEJSPGGTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-4-16-14-17-10(3)12-8-11(15)9-19(13(12)18-14)6-7-20-5-2/h8H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 341.25 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 69009692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).