5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine

C15H16ClN3O — CID 80860332

IUPAC5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC2CCCc3ccccc32)n1
InChIInChI=1S/C15H16ClN3O/c1-17-15-18-9-12(16)14(19-15)20-13-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H,17,18,19)
InChIKeyXOBNMWSOIORMBE-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine

5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine (PubChem CID 80860332) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
PubChem CID80860332
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC2CCCc3ccccc32)n1
InChIInChI=1S/C15H16ClN3O/c1-17-15-18-9-12(16)14(19-15)20-13-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H,17,18,19)
InChIKeyXOBNMWSOIORMBE-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine (CID 80860332) is 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine is CNc1ncc(Cl)c(OC2CCCc3ccccc32)n1.
What is the InChIKey of 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
The InChIKey is XOBNMWSOIORMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-15-18-9-12(16)14(19-15)20-13-8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80860332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).