4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

C16H27N5 — CID 80981730

IUPAC4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NC2CN3CCC2CC3)n1
InChIInChI=1S/C16H27N5/c1-4-5-14-19-15(17-3)11(2)16(20-14)18-13-10-21-8-6-12(13)7-9-21/h12-13H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyDMMPORUZWKISPN-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.29
Rot. Bonds5

About 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80981730) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80981730
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NC2CN3CCC2CC3)n1
InChIInChI=1S/C16H27N5/c1-4-5-14-19-15(17-3)11(2)16(20-14)18-13-10-21-8-6-12(13)7-9-21/h12-13H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyDMMPORUZWKISPN-UHFFFAOYSA-N
XLogP2.29
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001780
6-N,5-dimethyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985581
6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine
CID 80992645
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
4-N-(2,2-dimethylcyclopropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982436
2-(2-aminoethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 50968883
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 63729919
N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001681
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55229488
6-(2,3-dimethylpiperidin-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80982926
6-N-ethyl-5-methyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985469
N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80985513

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (CID 80981730) is 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NC2CN3CCC2CC3)n1.
What is the InChIKey of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is DMMPORUZWKISPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-5-14-19-15(17-3)11(2)16(20-14)18-13-10-21-8-6-12(13)7-9-21/h12-13H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).