N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide

C12H22N4O3S — CID 66325411

IUPACN-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1ncnc(OC)c1C)S(C)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-16(20(4,17)18)8-6-7-13-11-10(2)12(19-3)15-9-14-11/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyAPBVJPLTYPWHDO-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.88
Rot. Bonds8

About N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 66325411) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID66325411
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1ncnc(OC)c1C)S(C)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-16(20(4,17)18)8-6-7-13-11-10(2)12(19-3)15-9-14-11/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyAPBVJPLTYPWHDO-UHFFFAOYSA-N
XLogP0.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 106337998
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
N-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 114156504
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 66326883
N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 66332349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 66325411) is N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide is CCN(CCCNc1ncnc(OC)c1C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is APBVJPLTYPWHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-5-16(20(4,17)18)8-6-7-13-11-10(2)12(19-3)15-9-14-11/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 66325411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).