5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine

C15H16BrN3O — CID 80873844

IUPAC5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H16BrN3O/c1-17-15-18-9-13(16)14(19-15)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H,17,18,19)
InChIKeyXNCKSJNKXKHULY-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.95
Rot. Bonds3

About 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine

5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine (PubChem CID 80873844) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
PubChem CID80873844
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H16BrN3O/c1-17-15-18-9-13(16)14(19-15)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H,17,18,19)
InChIKeyXNCKSJNKXKHULY-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
CID 80881424
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
CID 80882067
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
CID 80917000
5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 104507282
N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine
CID 83111621
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine
CID 81036269
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine
CID 113368109
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine (CID 80873844) is 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine is CNc1ncc(Br)c(Oc2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
The InChIKey is XNCKSJNKXKHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-17-15-18-9-13(16)14(19-15)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine?
5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine has a molecular weight of 334.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80873844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).