N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide

C13H19N5O4S — CID 120664592

IUPACN-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H19N5O4S/c1-4-14-8(2)6-16-23(21,22)9-5-10-11(15-7-9)18(3)13(20)17-12(10)19/h5,7-8,14,16H,4,6H2,1-3H3,(H,17,19,20)/t8-/m1/s1
InChIKeyDOZAMKOIEZCICC-MRVPVSSYSA-N
MW341.39 g/mol
LogP-1.10
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide

N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 120664592) has the molecular formula C13H19N5O4S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
PubChem CID120664592
Molecular FormulaC13H19N5O4S
Molecular Weight341.39 g/mol
Exact Mass341.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C13H19N5O4S/c1-4-14-8(2)6-16-23(21,22)9-5-10-11(15-7-9)18(3)13(20)17-12(10)19/h5,7-8,14,16H,4,6H2,1-3H3,(H,17,19,20)/t8-/m1/s1
InChIKeyDOZAMKOIEZCICC-MRVPVSSYSA-N
XLogP-1.10
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide with MolForge

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Related Compounds

4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660404
N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 119981185
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120896389
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 120896388
1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 63772557
ethyl 6-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
CID 75456361
1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24674520
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
1-butyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CID 54594602
N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 120664886
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12028356

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide (CID 120664592) is N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide is CCN[C@H](C)CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is DOZAMKOIEZCICC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N5O4S/c1-4-14-8(2)6-16-23(21,22)9-5-10-11(15-7-9)18(3)13(20)17-12(10)19/h5,7-8,14,16H,4,6H2,1-3H3,(H,17,19,20)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 341.39 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 120664592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).