4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one

C12H15N3O — CID 136870683

IUPAC4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2C3C4CCC(C4)C23)nc[nH]1
InChIInChI=1S/C12H15N3O/c16-9-4-8(13-5-14-9)15-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H2,13,14,15,16)
InChIKeySMAFHWQFKKIZHO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.23
Rot. Bonds2

About 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one

4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one (PubChem CID 136870683) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
PubChem CID136870683
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2C3C4CCC(C4)C23)nc[nH]1
InChIInChI=1S/C12H15N3O/c16-9-4-8(13-5-14-9)15-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H2,13,14,15,16)
InChIKeySMAFHWQFKKIZHO-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one (CID 136870683) is 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one is O=c1cc(NC2C3C4CCC(C4)C23)nc[nH]1.
What is the InChIKey of 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
The InChIKey is SMAFHWQFKKIZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-9-4-8(13-5-14-9)15-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H2,13,14,15,16).
What are the key properties of 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one has a molecular weight of 217.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136870683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).