N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide

C10H17ClN4O2S — CID 105369232

IUPACN-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1ncncc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H17ClN4O2S/c1-3-15(18(2,16)17)6-4-5-13-10-9(11)7-12-8-14-10/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQSIGJEOIVHBIHQ-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.21
Rot. Bonds7

About N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide

N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide (PubChem CID 105369232) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
PubChem CID105369232
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC NameN-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1ncncc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H17ClN4O2S/c1-3-15(18(2,16)17)6-4-5-13-10-9(11)7-12-8-14-10/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQSIGJEOIVHBIHQ-UHFFFAOYSA-N
XLogP1.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 114156504
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 66325411
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 102975980
N-ethyl-N-[3-[(3-methyl-5-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 62477733
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 105369599
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
CID 51892007
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide (CID 105369232) is N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNc1ncncc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is QSIGJEOIVHBIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-3-15(18(2,16)17)6-4-5-13-10-9(11)7-12-8-14-10/h7-8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide?
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 105369232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).