5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one

C13H20N4O — CID 136973685

IUPAC5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1N)C1CC2CCC1C2
InChIInChI=1S/C13H20N4O/c1-7(10-5-8-2-3-9(10)4-8)17-12-11(14)13(18)16-6-15-12/h6-10H,2-5,14H2,1H3,(H2,15,16,17,18)
InChIKeyGJJMVZMXWNLUKW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.59
Rot. Bonds3

About 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136973685) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136973685
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1N)C1CC2CCC1C2
InChIInChI=1S/C13H20N4O/c1-7(10-5-8-2-3-9(10)4-8)17-12-11(14)13(18)16-6-15-12/h6-10H,2-5,14H2,1H3,(H2,15,16,17,18)
InChIKeyGJJMVZMXWNLUKW-UHFFFAOYSA-N
XLogP1.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one (CID 136973685) is 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1N)C1CC2CCC1C2.
What is the InChIKey of 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is GJJMVZMXWNLUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-7(10-5-8-2-3-9(10)4-8)17-12-11(14)13(18)16-6-15-12/h6-10H,2-5,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).