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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride
CID 86262707
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate
CID 4992492
2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine
CID 3908136
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide
CID 120833140
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64632124
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 102926365
ethyl 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(methylamino)pentanoate
CID 64703913
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422
N-methyl-4-pyrazin-2-ylsulfanylpentan-2-amine
CID 64704450
2-amino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentanoic acid
CID 64705505

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).