N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine

C16H21N5S — CID 155975756

IUPACN-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
SMILESCSc1nccc(N2CCC(N(C)c3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5S/c1-20(14-5-3-4-9-17-14)13-7-11-21(12-8-13)15-6-10-18-16(19-15)22-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyZOEIHMFHZYRUKR-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.70
Rot. Bonds4

About N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine

N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine (PubChem CID 155975756) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
PubChem CID155975756
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
SMILESCSc1nccc(N2CCC(N(C)c3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5S/c1-20(14-5-3-4-9-17-14)13-7-11-21(12-8-13)15-6-10-18-16(19-15)22-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyZOEIHMFHZYRUKR-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine (CID 155975756) is N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine is CSc1nccc(N2CCC(N(C)c3ccccn3)CC2)n1.
What is the InChIKey of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is ZOEIHMFHZYRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-20(14-5-3-4-9-17-14)13-7-11-21(12-8-13)15-6-10-18-16(19-15)22-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine?
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 315.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 155975756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).