4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C11H18N4S — CID 80816880

IUPAC4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC2(C)C)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-11(2)6-7(11)13-9-5-8(12-3)14-10(15-9)16-4/h5,7H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyNHHYHNZSOIMRLJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.45
Rot. Bonds4

About 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80816880) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80816880
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC2(C)C)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-11(2)6-7(11)13-9-5-8(12-3)14-10(15-9)16-4/h5,7H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyNHHYHNZSOIMRLJ-UHFFFAOYSA-N
XLogP2.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 107604420
6-N-methyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80828694
4-N-(3-chloro-2-fluorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80755526
4-N-(4-bromo-2-chlorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771354
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761115
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
4-N-(2,2-dimethylcyclopropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80816176
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 82759582

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80816880) is 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NC2CC2(C)C)nc(SC)n1.
What is the InChIKey of 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is NHHYHNZSOIMRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-11(2)6-7(11)13-9-5-8(12-3)14-10(15-9)16-4/h5,7H,6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80816880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).