5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H22N4O2 — CID 43752115

IUPAC5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCN3CCCC23)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O2/c1-16-9-10(13(19)17(2)14(16)20)8-15-11-5-7-18-6-3-4-12(11)18/h9,11-12,15H,3-8H2,1-2H3
InChIKeyASBQNTYPZWIDAC-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.59
Rot. Bonds3

About 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43752115) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43752115
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCN3CCCC23)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O2/c1-16-9-10(13(19)17(2)14(16)20)8-15-11-5-7-18-6-3-4-12(11)18/h9,11-12,15H,3-8H2,1-2H3
InChIKeyASBQNTYPZWIDAC-UHFFFAOYSA-N
XLogP-0.59
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

N-((1-ethylpyrrolidin-2-yl)methyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280809
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 90210452
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]pyrrolidin-3-yl]-3-methylurea
CID 90212321
1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]-5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]pyrrolidin-3-yl]-3-methylurea
CID 144492708
5-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43201535
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594534
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595358
1,3-Dimethyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
CID 54949573
6-amino-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-2,4-dione
CID 54967841
1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 56774431
1,3-Dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione
CID 60931468
6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione
CID 60964449

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43752115) is 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNC2CCN3CCCC23)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ASBQNTYPZWIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-9-10(13(19)17(2)14(16)20)8-15-11-5-7-18-6-3-4-12(11)18/h9,11-12,15H,3-8H2,1-2H3.
What are the key properties of 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 278.36 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43752115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).