N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide

C13H21N5OS — CID 77090041

IUPACN,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide
SMILESCSc1ncc(CN2CCN(C(=O)N(C)C)CC2)cn1
InChIInChI=1S/C13H21N5OS/c1-16(2)13(19)18-6-4-17(5-7-18)10-11-8-14-12(20-3)15-9-11/h8-9H,4-7,10H2,1-3H3
InChIKeyPCUFUAVGARWOIW-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.00
Rot. Bonds3

About N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide

N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 77090041) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide
PubChem CID77090041
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC NameN,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide
SMILESCSc1ncc(CN2CCN(C(=O)N(C)C)CC2)cn1
InChIInChI=1S/C13H21N5OS/c1-16(2)13(19)18-6-4-17(5-7-18)10-11-8-14-12(20-3)15-9-11/h8-9H,4-7,10H2,1-3H3
InChIKeyPCUFUAVGARWOIW-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide (CID 77090041) is N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide is CSc1ncc(CN2CCN(C(=O)N(C)C)CC2)cn1.
What is the InChIKey of N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is PCUFUAVGARWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-16(2)13(19)18-6-4-17(5-7-18)10-11-8-14-12(20-3)15-9-11/h8-9H,4-7,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 77090041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).