N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C19H24N4OS — CID 20913573

IUPACN-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C19H24N4OS/c1-14-17(12-20-19(21-14)25-2)18(24)22-16-8-10-23(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,22,24)
InChIKeyLTZFFIIMBZOUHW-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.90
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913573) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913573
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C19H24N4OS/c1-14-17(12-20-19(21-14)25-2)18(24)22-16-8-10-23(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,22,24)
InChIKeyLTZFFIIMBZOUHW-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913573) is N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is LTZFFIIMBZOUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-17(12-20-19(21-14)25-2)18(24)22-16-8-10-23(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).