5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C14H16BrN5 — CID 80920340

IUPAC5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESNNc1ncc(Br)c(Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C14H16BrN5/c15-11-8-17-14(20-16)19-13(11)18-12-7-3-5-9-4-1-2-6-10(9)12/h3,5,7-8H,1-2,4,6,16H2,(H2,17,18,19,20)
InChIKeyQNKSAQZUSGUXFT-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.15
Rot. Bonds3

About 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 80920340) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID80920340
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESNNc1ncc(Br)c(Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C14H16BrN5/c15-11-8-17-14(20-16)19-13(11)18-12-7-3-5-9-4-1-2-6-10(9)12/h3,5,7-8H,1-2,4,6,16H2,(H2,17,18,19,20)
InChIKeyQNKSAQZUSGUXFT-UHFFFAOYSA-N
XLogP3.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80759991
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 103583036
5-bromo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136970437
N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80927953
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63462010
2-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80760062
4-chloro-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidine-5-carbonitrile
CID 164844404
4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323357
4-bromo-2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002825

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 80920340) is 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is NNc1ncc(Br)c(Nc2cccc3c2CCCC3)n1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is QNKSAQZUSGUXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c15-11-8-17-14(20-16)19-13(11)18-12-7-3-5-9-4-1-2-6-10(9)12/h3,5,7-8H,1-2,4,6,16H2,(H2,17,18,19,20).
What are the key properties of 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 334.22 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80920340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).