5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

C10H10BrClN4S — CID 79072717

IUPAC5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1nc(Cl)ncc1Br)c1nccs1
InChIInChI=1S/C10H10BrClN4S/c1-2-7(9-13-3-4-17-9)15-8-6(11)5-14-10(12)16-8/h3-5,7H,2H2,1H3,(H,14,15,16)
InChIKeyGDMVDHUZMKNRJU-UHFFFAOYSA-N
MW333.64 g/mol
LogP3.91
Rot. Bonds4

About 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 79072717) has the molecular formula C10H10BrClN4S and a molecular weight of 333.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID79072717
Molecular FormulaC10H10BrClN4S
Molecular Weight333.64 g/mol
Exact Mass331.95
IUPAC Name5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1nc(Cl)ncc1Br)c1nccs1
InChIInChI=1S/C10H10BrClN4S/c1-2-7(9-13-3-4-17-9)15-8-6(11)5-14-10(12)16-8/h3-5,7H,2H2,1H3,(H,14,15,16)
InChIKeyGDMVDHUZMKNRJU-UHFFFAOYSA-N
XLogP3.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (CID 79072717) is 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is CCC(Nc1nc(Cl)ncc1Br)c1nccs1.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is GDMVDHUZMKNRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4S/c1-2-7(9-13-3-4-17-9)15-8-6(11)5-14-10(12)16-8/h3-5,7H,2H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 333.64 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 79072717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).