6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine

C15H25N5S — CID 80828694

IUPAC6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC3CCCC(C2)N3C)nc(SC)n1
InChIInChI=1S/C15H25N5S/c1-16-13-9-14(19-15(18-13)21-3)17-10-7-11-5-4-6-12(8-10)20(11)2/h9-12H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyUENWFWNBUOMCJC-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.67
Rot. Bonds4

About 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine

6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80828694) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80828694
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC3CCCC(C2)N3C)nc(SC)n1
InChIInChI=1S/C15H25N5S/c1-16-13-9-14(19-15(18-13)21-3)17-10-7-11-5-4-6-12(8-10)20(11)2/h9-12H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyUENWFWNBUOMCJC-UHFFFAOYSA-N
XLogP2.67
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841108
6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80802965
4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 114118397
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809
4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80816880
3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
CID 104535034
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
N-(4,6-dichloropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 155715390
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
CID 65472964

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80828694) is 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NC2CC3CCCC(C2)N3C)nc(SC)n1.
What is the InChIKey of 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is UENWFWNBUOMCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-16-13-9-14(19-15(18-13)21-3)17-10-7-11-5-4-6-12(8-10)20(11)2/h9-12H,4-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 307.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80828694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).