3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

C17H31N3S — CID 65294013

IUPAC3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CSC(C)C)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H31N3S/c1-11(2)18-9-13(5)8-16-14(6)19-17(20-15(16)7)10-21-12(3)4/h11-13,18H,8-10H2,1-7H3
InChIKeyRYTRXBFACTWXSA-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.91
Rot. Bonds8

About 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 65294013) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID65294013
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CSC(C)C)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H31N3S/c1-11(2)18-9-13(5)8-16-14(6)19-17(20-15(16)7)10-21-12(3)4/h11-13,18H,8-10H2,1-7H3
InChIKeyRYTRXBFACTWXSA-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-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

3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293824
N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 65134003
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293872
3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 115347195
N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine
CID 65293634
3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 65293453
N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 65141350
5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65131341
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
CID 65293543
3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79225074
3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 80631067

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 65294013) is 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is Cc1nc(CSC(C)C)nc(C)c1CC(C)CNC(C)C.
What is the InChIKey of 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is RYTRXBFACTWXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-11(2)18-9-13(5)8-16-14(6)19-17(20-15(16)7)10-21-12(3)4/h11-13,18H,8-10H2,1-7H3.
What are the key properties of 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65294013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).