4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H25N5 — CID 80982082

IUPAC4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC1CN2CCC1CC2
InChIInChI=1S/C15H25N5/c1-9(2)14-18-13(16)10(3)15(19-14)17-12-8-20-6-4-11(12)5-7-20/h9,11-12H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyZRKWZRAGECIHFO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.00
Rot. Bonds3

About 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80982082) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80982082
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC1CN2CCC1CC2
InChIInChI=1S/C15H25N5/c1-9(2)14-18-13(16)10(3)15(19-14)17-12-8-20-6-4-11(12)5-7-20/h9,11-12H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyZRKWZRAGECIHFO-UHFFFAOYSA-N
XLogP2.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506658
4-N-(2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992914
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 63729919
4-N-(3,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992735
N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001681
4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992701
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
CID 102983633
N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001780
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114506710
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80981730
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982157

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80982082) is 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NC1CN2CCC1CC2.
What is the InChIKey of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ZRKWZRAGECIHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-9(2)14-18-13(16)10(3)15(19-14)17-12-8-20-6-4-11(12)5-7-20/h9,11-12H,4-8H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 275.40 g/mol, XLogP of 2.00, 3 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)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).