3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide

C10H17ClN4O2S — CID 80939830

IUPAC3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESCCCc1nc(Cl)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C10H17ClN4O2S/c1-2-4-9-14-8(11)7-10(15-9)13-5-3-6-18(12,16)17/h7H,2-6H2,1H3,(H2,12,16,17)(H,13,14,15)
InChIKeyMMRSYTDPSPSOLF-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.17
Rot. Bonds7

About 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide

3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide (PubChem CID 80939830) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
PubChem CID80939830
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESCCCc1nc(Cl)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C10H17ClN4O2S/c1-2-4-9-14-8(11)7-10(15-9)13-5-3-6-18(12,16)17/h7H,2-6H2,1H3,(H2,12,16,17)(H,13,14,15)
InChIKeyMMRSYTDPSPSOLF-UHFFFAOYSA-N
XLogP1.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80934884
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887
6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80938791
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
CID 114518283
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80903168
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 114564759

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide (CID 80939830) is 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide is CCCc1nc(Cl)cc(NCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide?
The InChIKey is MMRSYTDPSPSOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-2-4-9-14-8(11)7-10(15-9)13-5-3-6-18(12,16)17/h7H,2-6H2,1H3,(H2,12,16,17)(H,13,14,15).
What are the key properties of 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide?
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 80939830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).