5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine

C14H13BrFN3 — CID 133446372

IUPAC5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
SMILESFc1ccc2c(c1)C(Nc1ncc(Br)cn1)CCC2
InChIInChI=1S/C14H13BrFN3/c15-10-7-17-14(18-8-10)19-13-3-1-2-9-4-5-11(16)6-12(9)13/h4-8,13H,1-3H2,(H,17,18,19)
InChIKeyLRWBMRRZELAHIA-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.87
Rot. Bonds2

About 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine

5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine (PubChem CID 133446372) has the molecular formula C14H13BrFN3 and a molecular weight of 322.18 g/mol. Its IUPAC name is 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
PubChem CID133446372
Molecular FormulaC14H13BrFN3
Molecular Weight322.18 g/mol
Exact Mass321.03
IUPAC Name5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
SMILESFc1ccc2c(c1)C(Nc1ncc(Br)cn1)CCC2
InChIInChI=1S/C14H13BrFN3/c15-10-7-17-14(18-8-10)19-13-3-1-2-9-4-5-11(16)6-12(9)13/h4-8,13H,1-3H2,(H,17,18,19)
InChIKeyLRWBMRRZELAHIA-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 133446267
3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 133446398
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
CID 133446462
N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133446329
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133446453
2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133446426
6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide
CID 133446450
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133446354
2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 75370275
1-N-(5-chloropyrimidin-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine (CID 133446372) is 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine is Fc1ccc2c(c1)C(Nc1ncc(Br)cn1)CCC2.
What is the InChIKey of 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
The InChIKey is LRWBMRRZELAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3/c15-10-7-17-14(18-8-10)19-13-3-1-2-9-4-5-11(16)6-12(9)13/h4-8,13H,1-3H2,(H,17,18,19).
What are the key properties of 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine has a molecular weight of 322.18 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 133446372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).