N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine

C14H14BrN3 — CID 107587740

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine
SMILESBrc1ccc2c(c1)CCC(Nc1cncnc1)C2
InChIInChI=1S/C14H14BrN3/c15-12-3-1-11-6-13(4-2-10(11)5-12)18-14-7-16-9-17-8-14/h1,3,5,7-9,13,18H,2,4,6H2
InChIKeyLEHFWFJHEUSOMM-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.21
Rot. Bonds2

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine (PubChem CID 107587740) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine
PubChem CID107587740
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine
SMILESBrc1ccc2c(c1)CCC(Nc1cncnc1)C2
InChIInChI=1S/C14H14BrN3/c15-12-3-1-11-6-13(4-2-10(11)5-12)18-14-7-16-9-17-8-14/h1,3,5,7-9,13,18H,2,4,6H2
InChIKeyLEHFWFJHEUSOMM-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine (CID 107587740) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine is Brc1ccc2c(c1)CCC(Nc1cncnc1)C2.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine?
The InChIKey is LEHFWFJHEUSOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-12-3-1-11-6-13(4-2-10(11)5-12)18-14-7-16-9-17-8-14/h1,3,5,7-9,13,18H,2,4,6H2.
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine has a molecular weight of 304.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 107587740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).