N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine

C9H15N3S — CID 64648831

IUPACN-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine
SMILESCCC(CSc1ncccn1)NC
InChIInChI=1S/C9H15N3S/c1-3-8(10-2)7-13-9-11-5-4-6-12-9/h4-6,8,10H,3,7H2,1-2H3
InChIKeyMGOKCTGCCGPWBJ-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.57
Rot. Bonds5

About N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine

N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine (PubChem CID 64648831) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine
PubChem CID64648831
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine
SMILESCCC(CSc1ncccn1)NC
InChIInChI=1S/C9H15N3S/c1-3-8(10-2)7-13-9-11-5-4-6-12-9/h4-6,8,10H,3,7H2,1-2H3
InChIKeyMGOKCTGCCGPWBJ-UHFFFAOYSA-N
XLogP1.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine (CID 64648831) is N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine is CCC(CSc1ncccn1)NC.
What is the InChIKey of N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine?
The InChIKey is MGOKCTGCCGPWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-8(10-2)7-13-9-11-5-4-6-12-9/h4-6,8,10H,3,7H2,1-2H3.
What are the key properties of N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine?
N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 64648831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).