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6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine

C17H26BrN5 — CID 141182821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(C)c2c(n1)N(CCN1CCCCC1)CC(Br)=C2
InChIInChI=1S/C17H26BrN5/c1-3-19-17-20-13(2)15-11-14(18)12-23(16(15)21-17)10-9-22-7-5-4-6-8-22/h11H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyXFJXQMIXBSSEJK-UHFFFAOYSA-N
MW380.33 g/mol
LogP3.26
Rot. Bonds5

About 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine

6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141182821) has the molecular formula C17H26BrN5 and a molecular weight of 380.33 g/mol. Its IUPAC name is 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141182821
Molecular FormulaC17H26BrN5
Molecular Weight380.33 g/mol
Exact Mass379.14
IUPAC Name6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(C)c2c(n1)N(CCN1CCCCC1)CC(Br)=C2
InChIInChI=1S/C17H26BrN5/c1-3-19-17-20-13(2)15-11-14(18)12-23(16(15)21-17)10-9-22-7-5-4-6-8-22/h11H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyXFJXQMIXBSSEJK-UHFFFAOYSA-N
XLogP3.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141182821) is 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine is CCNc1nc(C)c2c(n1)N(CCN1CCCCC1)CC(Br)=C2.
What is the InChIKey of 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is XFJXQMIXBSSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN5/c1-3-19-17-20-13(2)15-11-14(18)12-23(16(15)21-17)10-9-22-7-5-4-6-8-22/h11H,3-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 380.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-4-methyl-8-(2-piperidin-1-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141182821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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