N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide

C11H21N5O3S — CID 106343448

IUPACN-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNc1ncnc(NCCS(=O)(=O)NCC)c1OC
InChIInChI=1S/C11H21N5O3S/c1-4-12-10-9(19-3)11(15-8-14-10)13-6-7-20(17,18)16-5-2/h8,16H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyAPNYUWWPTYEACL-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.27
Rot. Bonds9

About N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide

N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106343448) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106343448
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNc1ncnc(NCCS(=O)(=O)NCC)c1OC
InChIInChI=1S/C11H21N5O3S/c1-4-12-10-9(19-3)11(15-8-14-10)13-6-7-20(17,18)16-5-2/h8,16H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyAPNYUWWPTYEACL-UHFFFAOYSA-N
XLogP0.27
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-methoxy-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-N-(3,3,4-trifluorobutyl)ethanesulfonamide
CID 144210312
6-N-ethyl-5-methoxy-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 81725306
6-N-ethyl-5-methoxy-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725519
5-methoxy-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725594
5-methoxy-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725595
5-methoxy-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725672
6-N-ethyl-5-methoxy-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725699
5-methoxy-4-N-methyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725775
6-N-ethyl-5-methoxy-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 81727479
4-N,6-N-diethyl-5-methoxy-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 81727690
4-N-ethyl-5-methoxy-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 81727763
5-methoxy-4-N-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 81728517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide (CID 106343448) is N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide is CCNc1ncnc(NCCS(=O)(=O)NCC)c1OC.
What is the InChIKey of N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is APNYUWWPTYEACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-4-12-10-9(19-3)11(15-8-14-10)13-6-7-20(17,18)16-5-2/h8,16H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide?
N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).