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

C15H23BrN4O — CID 69010542

IUPAC6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(C)c2c(n1)N(CCCOCC)CC(Br)=C2
InChIInChI=1S/C15H23BrN4O/c1-4-17-15-18-11(3)13-9-12(16)10-20(14(13)19-15)7-6-8-21-5-2/h9H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyJSSSGMJWDFXFTI-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.20
Rot. Bonds7

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

6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 69010542) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID69010542
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(C)c2c(n1)N(CCCOCC)CC(Br)=C2
InChIInChI=1S/C15H23BrN4O/c1-4-17-15-18-11(3)13-9-12(16)10-20(14(13)19-15)7-6-8-21-5-2/h9H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyJSSSGMJWDFXFTI-UHFFFAOYSA-N
XLogP3.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.20
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-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 69010542) is 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is CCNc1nc(C)c2c(n1)N(CCCOCC)CC(Br)=C2.
What is the InChIKey of 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is JSSSGMJWDFXFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-4-17-15-18-11(3)13-9-12(16)10-20(14(13)19-15)7-6-8-21-5-2/h9H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 355.28 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 69010542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).