4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine

C15H23N3O — CID 80883318

IUPAC4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
SMILESCc1cc(OC2CC3CCC2(C)C3(C)C)nc(N)n1
InChIInChI=1S/C15H23N3O/c1-9-7-12(18-13(16)17-9)19-11-8-10-5-6-15(11,4)14(10,2)3/h7,10-11H,5-6,8H2,1-4H3,(H2,16,17,18)
InChIKeyYWXJPNYYFMCFPV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.96
Rot. Bonds2

About 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine

4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine (PubChem CID 80883318) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
PubChem CID80883318
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
SMILESCc1cc(OC2CC3CCC2(C)C3(C)C)nc(N)n1
InChIInChI=1S/C15H23N3O/c1-9-7-12(18-13(16)17-9)19-11-8-10-5-6-15(11,4)14(10,2)3/h7,10-11H,5-6,8H2,1-4H3,(H2,16,17,18)
InChIKeyYWXJPNYYFMCFPV-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine (CID 80883318) is 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine is Cc1cc(OC2CC3CCC2(C)C3(C)C)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
The InChIKey is YWXJPNYYFMCFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-7-12(18-13(16)17-9)19-11-8-10-5-6-15(11,4)14(10,2)3/h7,10-11H,5-6,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine is sourced from PubChem (CID 80883318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).