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

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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).