2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide

C11H18N4O3S — CID 72918635

IUPAC2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C11H18N4O3S/c1-4-10-13-7-9(8-14-10)11(16)12-5-6-15(2)19(3,17)18/h7-8H,4-6H2,1-3H3,(H,12,16)
InChIKeyWHEPHZYFQJAIRX-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.34
Rot. Bonds6

About 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide

2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide (PubChem CID 72918635) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide
PubChem CID72918635
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C11H18N4O3S/c1-4-10-13-7-9(8-14-10)11(16)12-5-6-15(2)19(3,17)18/h7-8H,4-6H2,1-3H3,(H,12,16)
InChIKeyWHEPHZYFQJAIRX-UHFFFAOYSA-N
XLogP-0.34
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
6-[2-(ethylamino)pyrimidine-5-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136264143
4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 137349434
N-((3S*,4R*)-1-{[2-(ethylamino)-5-pyrimidinyl]carbonyl}-4-isopropyl-3-pyrrolidinyl)methanesulfonamide
CID 70751118
2-ethyl-N-[2-(isobutylsulfonyl)ethyl]-5-pyrimidinecarboxamide
CID 72879630
5-{[3-(dimethylamino)-1-pyrrolidinyl]carbonyl}-N-ethyl-2-pyrimidinamine
CID 72888290
2-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}pyrimidine-5-carboxamide
CID 74232485
2-Ethyl-5-{[4-(methylsulfonyl)piperazin-1-yl]carbonyl}pyrimidine
CID 74233443
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-isopropylpyrimidine-5-carboxamide
CID 74233606
N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide
CID 74248529
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 97939257

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide (CID 72918635) is 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCCN(C)S(C)(=O)=O)cn1.
What is the InChIKey of 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide?
The InChIKey is WHEPHZYFQJAIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-4-10-13-7-9(8-14-10)11(16)12-5-6-15(2)19(3,17)18/h7-8H,4-6H2,1-3H3,(H,12,16).
What are the key properties of 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide?
2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72918635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).