4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C11H9BrN6S — CID 170326720

IUPAC4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3nc(Br)cs3)n2)cn1
InChIInChI=1S/C11H9BrN6S/c1-18-5-7(4-14-18)15-11-13-3-2-8(16-11)10-17-9(12)6-19-10/h2-6H,1H3,(H,13,15,16)
InChIKeyDYUPEUKLVNRRAZ-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.84
Rot. Bonds3

About 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 170326720) has the molecular formula C11H9BrN6S and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID170326720
Molecular FormulaC11H9BrN6S
Molecular Weight337.21 g/mol
Exact Mass335.98
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3nc(Br)cs3)n2)cn1
InChIInChI=1S/C11H9BrN6S/c1-18-5-7(4-14-18)15-11-13-3-2-8(16-11)10-17-9(12)6-19-10/h2-6H,1H3,(H,13,15,16)
InChIKeyDYUPEUKLVNRRAZ-UHFFFAOYSA-N
XLogP2.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 170326720) is 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2nccc(-c3nc(Br)cs3)n2)cn1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is DYUPEUKLVNRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN6S/c1-18-5-7(4-14-18)15-11-13-3-2-8(16-11)10-17-9(12)6-19-10/h2-6H,1H3,(H,13,15,16).
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 337.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 170326720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).