5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

C7H8BrN7 — CID 66339912

IUPAC5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ncncc1Br)c1nn[nH]n1
InChIInChI=1S/C7H8BrN7/c1-4(6-12-14-15-13-6)11-7-5(8)2-9-3-10-7/h2-4H,1H3,(H,9,10,11)(H,12,13,14,15)
InChIKeyJDIVSYFAXMAHNC-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.93
Rot. Bonds3

About 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 66339912) has the molecular formula C7H8BrN7 and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID66339912
Molecular FormulaC7H8BrN7
Molecular Weight270.09 g/mol
Exact Mass269.00
IUPAC Name5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ncncc1Br)c1nn[nH]n1
InChIInChI=1S/C7H8BrN7/c1-4(6-12-14-15-13-6)11-7-5(8)2-9-3-10-7/h2-4H,1H3,(H,9,10,11)(H,12,13,14,15)
InChIKeyJDIVSYFAXMAHNC-UHFFFAOYSA-N
XLogP0.93
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 106194461
5-bromo-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 103578161
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
3-N-(5-bromopyrimidin-4-yl)butane-1,3-diamine
CID 83180764
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
CID 66342541
5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 66342606
2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
CID 83843664
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
5-bromo-N-(4-methylsulfanylbutan-2-yl)pyrimidin-4-amine
CID 115714993
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (CID 66339912) is 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is CC(Nc1ncncc1Br)c1nn[nH]n1.
What is the InChIKey of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JDIVSYFAXMAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN7/c1-4(6-12-14-15-13-6)11-7-5(8)2-9-3-10-7/h2-4H,1H3,(H,9,10,11)(H,12,13,14,15).
What are the key properties of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 270.09 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66339912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).