5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine

C8H12BrN3S — CID 80893250

IUPAC5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine
SMILESCC(C)CSc1nc(N)ncc1Br
InChIInChI=1S/C8H12BrN3S/c1-5(2)4-13-7-6(9)3-11-8(10)12-7/h3,5H,4H2,1-2H3,(H2,10,11,12)
InChIKeyBVPNUVGJJHCTSD-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.57
Rot. Bonds3

About 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine

5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine (PubChem CID 80893250) has the molecular formula C8H12BrN3S and a molecular weight of 262.18 g/mol. Its IUPAC name is 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine
PubChem CID80893250
Molecular FormulaC8H12BrN3S
Molecular Weight262.18 g/mol
Exact Mass260.99
IUPAC Name5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine
SMILESCC(C)CSc1nc(N)ncc1Br
InChIInChI=1S/C8H12BrN3S/c1-5(2)4-13-7-6(9)3-11-8(10)12-7/h3,5H,4H2,1-2H3,(H2,10,11,12)
InChIKeyBVPNUVGJJHCTSD-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine (CID 80893250) is 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine is CC(C)CSc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine?
The InChIKey is BVPNUVGJJHCTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3S/c1-5(2)4-13-7-6(9)3-11-8(10)12-7/h3,5H,4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine?
5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine has a molecular weight of 262.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylpropylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).