5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine

C12H20N4S — CID 170869062

IUPAC5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(CCN)c(NC2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-17-12-14-8-9(6-7-13)11(16-12)15-10-4-2-3-5-10/h8,10H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyNWIXKUUNRQJPER-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.05
Rot. Bonds5

About 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine

5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 170869062) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID170869062
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(CCN)c(NC2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-17-12-14-8-9(6-7-13)11(16-12)15-10-4-2-3-5-10/h8,10H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyNWIXKUUNRQJPER-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine (CID 170869062) is 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine is CSc1ncc(CCN)c(NC2CCCC2)n1.
What is the InChIKey of 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is NWIXKUUNRQJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-17-12-14-8-9(6-7-13)11(16-12)15-10-4-2-3-5-10/h8,10H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine?
5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 170869062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).