6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione

C13H21N5O2 — CID 60964449

IUPAC6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC2CCN3CCCC23)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N5O2/c1-2-18-11(14)10(12(19)16-13(18)20)15-8-5-7-17-6-3-4-9(8)17/h8-9,15H,2-7,14H2,1H3,(H,16,19,20)
InChIKeyRXKKOOFJCRWKGL-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.21
Rot. Bonds3

About 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione (PubChem CID 60964449) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione
PubChem CID60964449
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC2CCN3CCCC23)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N5O2/c1-2-18-11(14)10(12(19)16-13(18)20)15-8-5-7-17-6-3-4-9(8)17/h8-9,15H,2-7,14H2,1H3,(H,16,19,20)
InChIKeyRXKKOOFJCRWKGL-UHFFFAOYSA-N
XLogP-0.21
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)-9-ethyl-3-methyl-7-(3-methylbut-2-enyl)-8H-purine-2,6-dione
CID 69480458
2-[5-(dimethylamino)hexyl]-4-methyl-5a,6,7,8-tetrahydro-5H-purino[7,8-a]imidazole-1,3-dione
CID 142165013
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 8433318
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-butylacetamide
CID 8550032
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide
CID 8679815
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-cyclopentylacetamide
CID 8679834
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide
CID 8679835
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43752115
N-carbamoyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propanamide
CID 54967244
6-amino-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-2,4-dione
CID 54967841
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide
CID 54967975

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione (CID 60964449) is 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione is CCn1c(N)c(NC2CCN3CCCC23)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione?
The InChIKey is RXKKOOFJCRWKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-18-11(14)10(12(19)16-13(18)20)15-8-5-7-17-6-3-4-9(8)17/h8-9,15H,2-7,14H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 60964449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).