N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine

C12H20N4S — CID 102536624

IUPACN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCSc1ncc(CNCC2CCNCC2)cn1
InChIInChI=1S/C12H20N4S/c1-17-12-15-8-11(9-16-12)7-14-6-10-2-4-13-5-3-10/h8-10,13-14H,2-7H2,1H3
InChIKeyIATFKGVRRFYDFW-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.29
Rot. Bonds5

About N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine

N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 102536624) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID102536624
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCSc1ncc(CNCC2CCNCC2)cn1
InChIInChI=1S/C12H20N4S/c1-17-12-15-8-11(9-16-12)7-14-6-10-2-4-13-5-3-10/h8-10,13-14H,2-7H2,1H3
InChIKeyIATFKGVRRFYDFW-UHFFFAOYSA-N
XLogP1.29
TPSA49.84 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine (CID 102536624) is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine is CSc1ncc(CNCC2CCNCC2)cn1.
What is the InChIKey of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is IATFKGVRRFYDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-17-12-15-8-11(9-16-12)7-14-6-10-2-4-13-5-3-10/h8-10,13-14H,2-7H2,1H3.
What are the key properties of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine?
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 252.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 102536624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).