6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine

C10H12BrN5S — CID 114131183

IUPAC6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)(Nc1nc(N)cc(Br)n1)c1nccs1
InChIInChI=1S/C10H12BrN5S/c1-10(2,8-13-3-4-17-8)16-9-14-6(11)5-7(12)15-9/h3-5H,1-2H3,(H3,12,14,15,16)
InChIKeyLPEUCEWUOSHMDJ-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.62
Rot. Bonds3

About 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine

6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine (PubChem CID 114131183) has the molecular formula C10H12BrN5S and a molecular weight of 314.21 g/mol. Its IUPAC name is 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine
PubChem CID114131183
Molecular FormulaC10H12BrN5S
Molecular Weight314.21 g/mol
Exact Mass313.00
IUPAC Name6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)(Nc1nc(N)cc(Br)n1)c1nccs1
InChIInChI=1S/C10H12BrN5S/c1-10(2,8-13-3-4-17-8)16-9-14-6(11)5-7(12)15-9/h3-5H,1-2H3,(H3,12,14,15,16)
InChIKeyLPEUCEWUOSHMDJ-UHFFFAOYSA-N
XLogP2.62
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine (CID 114131183) is 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine is CC(C)(Nc1nc(N)cc(Br)n1)c1nccs1.
What is the InChIKey of 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is LPEUCEWUOSHMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5S/c1-10(2,8-13-3-4-17-8)16-9-14-6(11)5-7(12)15-9/h3-5H,1-2H3,(H3,12,14,15,16).
What are the key properties of 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine has a molecular weight of 314.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114131183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).