2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one

C16H23N3O — CID 136870641

IUPAC2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NC2C3C4CCC(C4)C23)c(=O)[nH]1
InChIInChI=1S/C16H23N3O/c1-7-12(16(20)19-9(3)17-7)8(2)18-15-13-10-4-5-11(6-10)14(13)15/h8,10-11,13-15,18H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyIGMADRQTUCQCGS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.08
Rot. Bonds3

About 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 136870641) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID136870641
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NC2C3C4CCC(C4)C23)c(=O)[nH]1
InChIInChI=1S/C16H23N3O/c1-7-12(16(20)19-9(3)17-7)8(2)18-15-13-10-4-5-11(6-10)14(13)15/h8,10-11,13-15,18H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyIGMADRQTUCQCGS-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136965510
5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136811541
2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136931872
2,4-dimethyl-5-[1-(4,4,4-trifluorobutylamino)ethyl]-1H-pyrimidin-6-one
CID 136952773
5-[1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136871924
3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide
CID 136811947
2,4-dimethyl-5-[1-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 135992610
2,4-dimethyl-5-[1-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]-1H-pyrimidin-6-one
CID 135968751
2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136827793
2-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethyl-N-methylpropanamide
CID 136713555
5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane
CID 145286848
tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate
CID 136902431

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one (CID 136870641) is 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NC2C3C4CCC(C4)C23)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is IGMADRQTUCQCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-7-12(16(20)19-9(3)17-7)8(2)18-15-13-10-4-5-11(6-10)14(13)15/h8,10-11,13-15,18H,4-6H2,1-3H3,(H,17,19,20).
What are the key properties of 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 273.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-(3-tricyclo[3.2.1.02,4]octanylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).