1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

C13H21N3S — CID 65040912

IUPAC1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCNC(CSc1nc(C)c(C)c(C)n1)C1CC1
InChIInChI=1S/C13H21N3S/c1-8-9(2)15-13(16-10(8)3)17-7-12(14-4)11-5-6-11/h11-12,14H,5-7H2,1-4H3
InChIKeyPTFFVOHDOBWSOF-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.49
Rot. Bonds5

About 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 65040912) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
PubChem CID65040912
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCNC(CSc1nc(C)c(C)c(C)n1)C1CC1
InChIInChI=1S/C13H21N3S/c1-8-9(2)15-13(16-10(8)3)17-7-12(14-4)11-5-6-11/h11-12,14H,5-7H2,1-4H3
InChIKeyPTFFVOHDOBWSOF-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (CID 65040912) is 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is CNC(CSc1nc(C)c(C)c(C)n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is PTFFVOHDOBWSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-8-9(2)15-13(16-10(8)3)17-7-12(14-4)11-5-6-11/h11-12,14H,5-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 251.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 65040912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).