N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C13H19N3OS — CID 6625920

IUPACN-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C13H19N3OS/c1-9-11(8-14-13(15-9)18-2)12(17)16-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,16,17)
InChIKeyOCMDQELVMNZBQN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.57
Rot. Bonds3

About N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 6625920) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID6625920
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CCCCC2)c(C)n1
InChIInChI=1S/C13H19N3OS/c1-9-11(8-14-13(15-9)18-2)12(17)16-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,16,17)
InChIKeyOCMDQELVMNZBQN-UHFFFAOYSA-N
XLogP2.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 6625920) is N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC2CCCCC2)c(C)n1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is OCMDQELVMNZBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-11(8-14-13(15-9)18-2)12(17)16-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 6625920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).