4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

C13H21N5 — CID 80804529

IUPAC4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCN3CCCC23)c1C
InChIInChI=1S/C13H21N5/c1-9-12(14-2)15-8-16-13(9)17-10-5-7-18-6-3-4-11(10)18/h8,10-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyLGJVONXKAMVEGO-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.48
Rot. Bonds3

About 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80804529) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80804529
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCN3CCCC23)c1C
InChIInChI=1S/C13H21N5/c1-9-12(14-2)15-8-16-13(9)17-10-5-7-18-6-3-4-11(10)18/h8,10-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyLGJVONXKAMVEGO-UHFFFAOYSA-N
XLogP1.48
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyrimidine-4,6-diamine
CID 80807917
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805013
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771823
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 80805623
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62133317
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methylpyrimidine-5-carbonitrile
CID 112755086
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]thieno[2,3-d]pyrimidin-4-amine
CID 94181560
N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112741845

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80804529) is 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(NC2CCN3CCCC23)c1C.
What is the InChIKey of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is LGJVONXKAMVEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-12(14-2)15-8-16-13(9)17-10-5-7-18-6-3-4-11(10)18/h8,10-11H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80804529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).