6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

C10H9BrN4S — CID 80890614

IUPAC6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Sc2ncccc2Br)n1
InChIInChI=1S/C10H9BrN4S/c1-6-14-8(12)5-9(15-6)16-10-7(11)3-2-4-13-10/h2-5H,1H3,(H2,12,14,15)
InChIKeyMVZYUXBPAAKPNC-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.68
Rot. Bonds2

About 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine

6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (PubChem CID 80890614) has the molecular formula C10H9BrN4S and a molecular weight of 297.18 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
PubChem CID80890614
Molecular FormulaC10H9BrN4S
Molecular Weight297.18 g/mol
Exact Mass295.97
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Sc2ncccc2Br)n1
InChIInChI=1S/C10H9BrN4S/c1-6-14-8(12)5-9(15-6)16-10-7(11)3-2-4-13-10/h2-5H,1H3,(H2,12,14,15)
InChIKeyMVZYUXBPAAKPNC-UHFFFAOYSA-N
XLogP2.68
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine (CID 80890614) is 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is Cc1nc(N)cc(Sc2ncccc2Br)n1.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
The InChIKey is MVZYUXBPAAKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4S/c1-6-14-8(12)5-9(15-6)16-10-7(11)3-2-4-13-10/h2-5H,1H3,(H2,12,14,15).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine?
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine has a molecular weight of 297.18 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80890614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).