5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

C7H7BrN6 — CID 66304283

IUPAC5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ncn[nH]2)ncc1Br
InChIInChI=1S/C7H7BrN6/c1-9-5-4(8)2-10-6(13-5)7-11-3-12-14-7/h2-3H,1H3,(H,9,10,13)(H,11,12,14)
InChIKeyPHOYHXYTRPGERG-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.07
Rot. Bonds2

About 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 66304283) has the molecular formula C7H7BrN6 and a molecular weight of 255.08 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID66304283
Molecular FormulaC7H7BrN6
Molecular Weight255.08 g/mol
Exact Mass253.99
IUPAC Name5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ncn[nH]2)ncc1Br
InChIInChI=1S/C7H7BrN6/c1-9-5-4(8)2-10-6(13-5)7-11-3-12-14-7/h2-3H,1H3,(H,9,10,13)(H,11,12,14)
InChIKeyPHOYHXYTRPGERG-UHFFFAOYSA-N
XLogP1.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 66304283) is 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CNc1nc(-c2ncn[nH]2)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is PHOYHXYTRPGERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN6/c1-9-5-4(8)2-10-6(13-5)7-11-3-12-14-7/h2-3H,1H3,(H,9,10,13)(H,11,12,14).
What are the key properties of 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 255.08 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 66304283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).