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

C16H29N3S — CID 65293453

IUPAC3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCSCc1nc(C)c(CC(C)CNCC(C)C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-11(2)8-17-9-12(3)7-15-13(4)18-16(10-20-6)19-14(15)5/h11-12,17H,7-10H2,1-6H3
InChIKeySURKTTJMZMENMH-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.38
Rot. Bonds8

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

3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 65293453) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID65293453
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCSCc1nc(C)c(CC(C)CNCC(C)C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-11(2)8-17-9-12(3)7-15-13(4)18-16(10-20-6)19-14(15)5/h11-12,17H,7-10H2,1-6H3
InChIKeySURKTTJMZMENMH-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.38
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-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 65293453) is 3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CSCc1nc(C)c(CC(C)CNCC(C)C)c(C)n1.
What is the InChIKey of 3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is SURKTTJMZMENMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-11(2)8-17-9-12(3)7-15-13(4)18-16(10-20-6)19-14(15)5/h11-12,17H,7-10H2,1-6H3.
What are the key properties of 3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.38, 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-(methylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 65293453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).