6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione

C14H22N4O2 — CID 81491042

IUPAC6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC3CCC(C2)N3)cc(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O2/c1-16-12(7-13(19)17(2)14(16)20)9-18-6-5-10-3-4-11(8-18)15-10/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyIBRPCRYVKQHMED-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.59
Rot. Bonds2

About 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione

6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 81491042) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID81491042
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC3CCC(C2)N3)cc(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O2/c1-16-12(7-13(19)17(2)14(16)20)9-18-6-5-10-3-4-11(8-18)15-10/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyIBRPCRYVKQHMED-UHFFFAOYSA-N
XLogP-0.59
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
1-{3-[(1S*,6R*)-3,9-diazabicyclo[4.2.1]non-9-yl]-3-oxopropyl}pyrimidine-2,4(1H,3H)-dione
CID 50981852
6-{[(1R*,6S*)-9-methyl-3,9-diazabicyclo[4.2.1]non-3-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56714088
6-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233578
6-[(Cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233580
1,3-Dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
CID 54949681
6-amino-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-2,4-dione
CID 54967841
6-[(4-amino-1-azepanyl)carbonyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 56903254
1,3-Dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione
CID 60705556
6-[[8-Azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 61230896

Frequently Asked Questions

What is the IUPAC name of 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 81491042) is 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCC3CCC(C2)N3)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IBRPCRYVKQHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-12(7-13(19)17(2)14(16)20)9-18-6-5-10-3-4-11(8-18)15-10/h7,10-11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 278.36 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 81491042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).