6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine

C19H27Br2N5O — CID 87871895

IUPAC6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine
SMILESCCC(CC)Oc1nc(Br)c(-c2c(C)nc(C(C)C)c(Br)c2N)nc1NC
InChIInChI=1S/C19H27Br2N5O/c1-7-11(8-2)27-19-18(23-6)25-16(17(21)26-19)12-10(5)24-15(9(3)4)13(20)14(12)22/h9,11H,7-8H2,1-6H3,(H2,22,24)(H,23,25)
InChIKeyLSSAGAAHHSYQCZ-UHFFFAOYSA-N
MW501.27 g/mol
LogP5.69
Rot. Bonds7

About 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine

6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine (PubChem CID 87871895) has the molecular formula C19H27Br2N5O and a molecular weight of 501.27 g/mol. Its IUPAC name is 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine
PubChem CID87871895
Molecular FormulaC19H27Br2N5O
Molecular Weight501.27 g/mol
Exact Mass499.06
IUPAC Name6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine
SMILESCCC(CC)Oc1nc(Br)c(-c2c(C)nc(C(C)C)c(Br)c2N)nc1NC
InChIInChI=1S/C19H27Br2N5O/c1-7-11(8-2)27-19-18(23-6)25-16(17(21)26-19)12-10(5)24-15(9(3)4)13(20)14(12)22/h9,11H,7-8H2,1-6H3,(H2,22,24)(H,23,25)
InChIKeyLSSAGAAHHSYQCZ-UHFFFAOYSA-N
XLogP5.69
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.27
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine?
The IUPAC name of 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine (CID 87871895) is 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine?
The canonical SMILES for 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine is CCC(CC)Oc1nc(Br)c(-c2c(C)nc(C(C)C)c(Br)c2N)nc1NC.
What is the InChIKey of 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine?
The InChIKey is LSSAGAAHHSYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Br2N5O/c1-7-11(8-2)27-19-18(23-6)25-16(17(21)26-19)12-10(5)24-15(9(3)4)13(20)14(12)22/h9,11H,7-8H2,1-6H3,(H2,22,24)(H,23,25).
What are the key properties of 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine?
6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine has a molecular weight of 501.27 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-5-bromo-2-methyl-6-propan-2-yl-3-pyridinyl)-5-bromo-N-methyl-3-pentan-3-yloxypyrazin-2-amine is sourced from PubChem (CID 87871895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).