8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C15H24N4O — CID 80846542

IUPAC8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNc1ncc(C)c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C15H24N4O/c1-3-6-16-15-17-9-10(2)14(18-15)19-11-4-5-12(19)8-13(20)7-11/h9,11-13,20H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyVYAMFKIZVLXJCR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds4

About 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80846542) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80846542
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNc1ncc(C)c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C15H24N4O/c1-3-6-16-15-17-9-10(2)14(18-15)19-11-4-5-12(19)8-13(20)7-11/h9,11-13,20H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyVYAMFKIZVLXJCR-UHFFFAOYSA-N
XLogP2.10
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80846542) is 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is CCCNc1ncc(C)c(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VYAMFKIZVLXJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-6-16-15-17-9-10(2)14(18-15)19-11-4-5-12(19)8-13(20)7-11/h9,11-13,20H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 276.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80846542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).