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

C13H21N5 — CID 64828902

IUPAC4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCN3CCCC23)n1
InChIInChI=1S/C13H21N5/c1-17(2)13-14-7-5-12(16-13)15-10-6-9-18-8-3-4-11(10)18/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyOPUVISORXZQPIL-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.19
Rot. Bonds3

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

4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64828902) 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)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64828902
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCN3CCCC23)n1
InChIInChI=1S/C13H21N5/c1-17(2)13-14-7-5-12(16-13)15-10-6-9-18-8-3-4-11(10)18/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyOPUVISORXZQPIL-UHFFFAOYSA-N
XLogP1.19
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64828902) is 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NC2CCN3CCCC23)n1.
What is the InChIKey of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is OPUVISORXZQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-17(2)13-14-7-5-12(16-13)15-10-6-9-18-8-3-4-11(10)18/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 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)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64828902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).