6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

C15H24N4 — CID 112681659

IUPAC6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCCc1nc(C2CC3CCC(C2)N3C)nc(N)c1C
InChIInChI=1S/C15H24N4/c1-4-13-9(2)14(16)18-15(17-13)10-7-11-5-6-12(8-10)19(11)3/h10-12H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyJEVUDNKVMBUIQD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds2

About 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 112681659) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID112681659
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCCc1nc(C2CC3CCC(C2)N3C)nc(N)c1C
InChIInChI=1S/C15H24N4/c1-4-13-9(2)14(16)18-15(17-13)10-7-11-5-6-12(8-10)19(11)3/h10-12H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyJEVUDNKVMBUIQD-UHFFFAOYSA-N
XLogP2.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 112681659) is 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is CCc1nc(C2CC3CCC(C2)N3C)nc(N)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is JEVUDNKVMBUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-13-9(2)14(16)18-15(17-13)10-7-11-5-6-12(8-10)19(11)3/h10-12H,4-8H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 112681659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).