6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one

C12H16BrN5O — CID 42609277

IUPAC6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one
SMILESCCNc1nc(C)c2nc(Br)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C12H16BrN5O/c1-5-14-12-15-7(4)8-10(17-12)18(6(2)3)11(19)9(13)16-8/h6H,5H2,1-4H3,(H,14,15,17)
InChIKeyASERQIRNMPJVBH-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.27
Rot. Bonds3

About 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one

6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one (PubChem CID 42609277) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one.

Molecular Properties

Compound Name6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one
PubChem CID42609277
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one
SMILESCCNc1nc(C)c2nc(Br)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C12H16BrN5O/c1-5-14-12-15-7(4)8-10(17-12)18(6(2)3)11(19)9(13)16-8/h6H,5H2,1-4H3,(H,14,15,17)
InChIKeyASERQIRNMPJVBH-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one?
The IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one (CID 42609277) is 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one.
What is the SMILES notation for 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one?
The canonical SMILES for 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one is CCNc1nc(C)c2nc(Br)c(=O)n(C(C)C)c2n1.
What is the InChIKey of 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one?
The InChIKey is ASERQIRNMPJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-5-14-12-15-7(4)8-10(17-12)18(6(2)3)11(19)9(13)16-8/h6H,5H2,1-4H3,(H,14,15,17).
What are the key properties of 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one?
6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one has a molecular weight of 326.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylamino)-4-methyl-8-propan-2-ylpteridin-7-one is sourced from PubChem (CID 42609277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).