4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine

C15H17N3O — CID 80859900

IUPAC4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
SMILESCc1cc(OC2CCCc3ccccc32)nc(N)n1
InChIInChI=1S/C15H17N3O/c1-10-9-14(18-15(16)17-10)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H2,16,17,18)
InChIKeyPBCCJXWVPYGPLK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.82
Rot. Bonds2

About 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine

4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine (PubChem CID 80859900) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
PubChem CID80859900
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
SMILESCc1cc(OC2CCCc3ccccc32)nc(N)n1
InChIInChI=1S/C15H17N3O/c1-10-9-14(18-15(16)17-10)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H2,16,17,18)
InChIKeyPBCCJXWVPYGPLK-UHFFFAOYSA-N
XLogP2.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine (CID 80859900) is 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine is Cc1cc(OC2CCCc3ccccc32)nc(N)n1.
What is the InChIKey of 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
The InChIKey is PBCCJXWVPYGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-9-14(18-15(16)17-10)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8H2,1H3,(H2,16,17,18).
What are the key properties of 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine?
4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80859900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).