N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide

C8H14N4O2S — CID 73168019

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1ccnc(CNS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-12(2)8-4-5-9-7(11-8)6-10-15(3,13)14/h4-5,10H,6H2,1-3H3
InChIKeyORWXMJGPJZKZOD-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.41
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide (PubChem CID 73168019) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
PubChem CID73168019
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1ccnc(CNS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-12(2)8-4-5-9-7(11-8)6-10-15(3,13)14/h4-5,10H,6H2,1-3H3
InChIKeyORWXMJGPJZKZOD-UHFFFAOYSA-N
XLogP-0.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide (CID 73168019) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide is CN(C)c1ccnc(CNS(C)(=O)=O)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
The InChIKey is ORWXMJGPJZKZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-12(2)8-4-5-9-7(11-8)6-10-15(3,13)14/h4-5,10H,6H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 73168019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).