1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

C18H28N4O — CID 56814804

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCC(NCc1cnc(N2CCOCC2)nc1)C1CC2CCC1C2
InChIInChI=1S/C18H28N4O/c1-13(17-9-14-2-3-16(17)8-14)19-10-15-11-20-18(21-12-15)22-4-6-23-7-5-22/h11-14,16-17,19H,2-10H2,1H3
InChIKeyBULMKPVIYMCLTH-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 56814804) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID56814804
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCC(NCc1cnc(N2CCOCC2)nc1)C1CC2CCC1C2
InChIInChI=1S/C18H28N4O/c1-13(17-9-14-2-3-16(17)8-14)19-10-15-11-20-18(21-12-15)22-4-6-23-7-5-22/h11-14,16-17,19H,2-10H2,1H3
InChIKeyBULMKPVIYMCLTH-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (CID 56814804) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is CC(NCc1cnc(N2CCOCC2)nc1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is BULMKPVIYMCLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13(17-9-14-2-3-16(17)8-14)19-10-15-11-20-18(21-12-15)22-4-6-23-7-5-22/h11-14,16-17,19H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 316.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 56814804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).