5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C9H10BrClN6 — CID 106303918

IUPAC5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCn1cnnc1CNc1nc(Cl)ncc1Br
InChIInChI=1S/C9H10BrClN6/c1-2-17-5-14-16-7(17)4-12-8-6(10)3-13-9(11)15-8/h3,5H,2,4H2,1H3,(H,12,13,15)
InChIKeyKPGJHMLQPHUCIC-UHFFFAOYSA-N
MW317.58 g/mol
LogP2.12
Rot. Bonds4

About 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 106303918) has the molecular formula C9H10BrClN6 and a molecular weight of 317.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID106303918
Molecular FormulaC9H10BrClN6
Molecular Weight317.58 g/mol
Exact Mass315.98
IUPAC Name5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCn1cnnc1CNc1nc(Cl)ncc1Br
InChIInChI=1S/C9H10BrClN6/c1-2-17-5-14-16-7(17)4-12-8-6(10)3-13-9(11)15-8/h3,5H,2,4H2,1H3,(H,12,13,15)
InChIKeyKPGJHMLQPHUCIC-UHFFFAOYSA-N
XLogP2.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.58
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 106303932
5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114170995
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
4-chloro-6-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 114170948
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 106303917
N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79073683
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
CID 106301855
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970066
2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47318751
2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103768324

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 106303918) is 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is CCn1cnnc1CNc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is KPGJHMLQPHUCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN6/c1-2-17-5-14-16-7(17)4-12-8-6(10)3-13-9(11)15-8/h3,5H,2,4H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 317.58 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106303918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).