4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine

C9H15ClN4O3S — CID 114053591

IUPAC4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine
SMILESCCN(CC)S(=O)(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C9H15ClN4O3S/c1-4-14(5-2)18(15,16)13-9-11-7(10)6-8(12-9)17-3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyDYLMFGIKTJOEIL-UHFFFAOYSA-N
MW294.76 g/mol
LogP1.14
Rot. Bonds6

About 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine

4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine (PubChem CID 114053591) has the molecular formula C9H15ClN4O3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine
PubChem CID114053591
Molecular FormulaC9H15ClN4O3S
Molecular Weight294.76 g/mol
Exact Mass294.06
IUPAC Name4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine
SMILESCCN(CC)S(=O)(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C9H15ClN4O3S/c1-4-14(5-2)18(15,16)13-9-11-7(10)6-8(12-9)17-3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyDYLMFGIKTJOEIL-UHFFFAOYSA-N
XLogP1.14
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
CID 107624901
2-chloro-5-(diethylsulfamoylamino)pyrazine
CID 107596039
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599417
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
CID 114052879
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106089579
N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 114053520
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine?
The IUPAC name of 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine (CID 114053591) is 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine.
What is the SMILES notation for 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine?
The canonical SMILES for 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine is CCN(CC)S(=O)(=O)Nc1nc(Cl)cc(OC)n1.
What is the InChIKey of 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine?
The InChIKey is DYLMFGIKTJOEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3S/c1-4-14(5-2)18(15,16)13-9-11-7(10)6-8(12-9)17-3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine?
4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine has a molecular weight of 294.76 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(diethylsulfamoylamino)-6-methoxypyrimidine is sourced from PubChem (CID 114053591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).