N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine

C11H19N3S — CID 133403717

IUPACN,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
SMILESCSCCC(C)N(C)c1ncc(C)cn1
InChIInChI=1S/C11H19N3S/c1-9-7-12-11(13-8-9)14(3)10(2)5-6-15-4/h7-8,10H,5-6H2,1-4H3
InChIKeyFLBKNCCIZBBLRQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.36
Rot. Bonds5

About N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine

N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine (PubChem CID 133403717) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
PubChem CID133403717
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
SMILESCSCCC(C)N(C)c1ncc(C)cn1
InChIInChI=1S/C11H19N3S/c1-9-7-12-11(13-8-9)14(3)10(2)5-6-15-4/h7-8,10H,5-6H2,1-4H3
InChIKeyFLBKNCCIZBBLRQ-UHFFFAOYSA-N
XLogP2.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380932
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372975
N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 133492168
N,5-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 130679981
5-(bromomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085305
2-N-methyl-2-N-pentan-2-ylpyrimidine-2,5-diamine
CID 61145457
N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide
CID 76987771
N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
CID 97325462
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 107085026
3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
CID 63873576
4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115744810

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine (CID 133403717) is N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine is CSCCC(C)N(C)c1ncc(C)cn1.
What is the InChIKey of N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is FLBKNCCIZBBLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-7-12-11(13-8-9)14(3)10(2)5-6-15-4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 133403717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).