2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine

C9H17N5O2S — CID 122354229

IUPAC2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
SMILESCN(C)c1nccc(CNS(=O)(=O)N(C)C)n1
InChIInChI=1S/C9H17N5O2S/c1-13(2)9-10-6-5-8(12-9)7-11-17(15,16)14(3)4/h5-6,11H,7H2,1-4H3
InChIKeyYMHLDKFQERUWSZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.56
Rot. Bonds5

About 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine

2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine (PubChem CID 122354229) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
PubChem CID122354229
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
SMILESCN(C)c1nccc(CNS(=O)(=O)N(C)C)n1
InChIInChI=1S/C9H17N5O2S/c1-13(2)9-10-6-5-8(12-9)7-11-17(15,16)14(3)4/h5-6,11H,7H2,1-4H3
InChIKeyYMHLDKFQERUWSZ-UHFFFAOYSA-N
XLogP-0.56
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
Pyrimidin-4-ylmethanamine
CID 12933348
N,N-dimethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-sulfonamide
CID 9819260
N,N,4-trimethylpyrimidin-2-amine
CID 21783318
2-(1-Pyrrolidinyl)-4-pyrimidinemethanamine
CID 53567848
2-Amino-4-pyrimidinemethanamine
CID 16227936
4-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 18364978
1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/1)
CID 42614178
(2-Ethylpyrimidin-4-yl)methanamine
CID 45080066
1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/2)
CID 45595827

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine?
The IUPAC name of 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine (CID 122354229) is 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine.
What is the SMILES notation for 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine?
The canonical SMILES for 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine is CN(C)c1nccc(CNS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine?
The InChIKey is YMHLDKFQERUWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-13(2)9-10-6-5-8(12-9)7-11-17(15,16)14(3)4/h5-6,11H,7H2,1-4H3.
What are the key properties of 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine?
2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine has a molecular weight of 259.33 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine is sourced from PubChem (CID 122354229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).