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

C12H16N4O — CID 136870679

IUPAC5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2C3C4CCC(C4)C23)nc[nH]c1=O
InChIInChI=1S/C12H16N4O/c13-9-11(14-4-15-12(9)17)16-10-7-5-1-2-6(3-5)8(7)10/h4-8,10H,1-3,13H2,(H2,14,15,16,17)
InChIKeyGUODAMWEPWSVNR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.81
Rot. Bonds2

About 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one

5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one (PubChem CID 136870679) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
PubChem CID136870679
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2C3C4CCC(C4)C23)nc[nH]c1=O
InChIInChI=1S/C12H16N4O/c13-9-11(14-4-15-12(9)17)16-10-7-5-1-2-6(3-5)8(7)10/h4-8,10H,1-3,13H2,(H2,14,15,16,17)
InChIKeyGUODAMWEPWSVNR-UHFFFAOYSA-N
XLogP0.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one (CID 136870679) is 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one is Nc1c(NC2C3C4CCC(C4)C23)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
The InChIKey is GUODAMWEPWSVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-9-11(14-4-15-12(9)17)16-10-7-5-1-2-6(3-5)8(7)10/h4-8,10H,1-3,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136870679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).