4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine

C12H21N3S — CID 64703084

IUPAC4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3S/c1-8(13-5)7-11(4)16-12-14-9(2)6-10(3)15-12/h6,8,11,13H,7H2,1-5H3
InChIKeyVMNPCEIXOMTAIP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.57
Rot. Bonds5

About 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine

4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine (PubChem CID 64703084) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine
PubChem CID64703084
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3S/c1-8(13-5)7-11(4)16-12-14-9(2)6-10(3)15-12/h6,8,11,13H,7H2,1-5H3
InChIKeyVMNPCEIXOMTAIP-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine (CID 64703084) is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine is CNC(C)CC(C)Sc1nc(C)cc(C)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine?
The InChIKey is VMNPCEIXOMTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(13-5)7-11(4)16-12-14-9(2)6-10(3)15-12/h6,8,11,13H,7H2,1-5H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine?
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylpentan-2-amine is sourced from PubChem (CID 64703084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).