N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide

C14H10Cl2N6O — CID 165394599

IUPACN-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide
SMILESCC(=O)Nc1c(Nc2nc(Cl)ncc2Cl)ccc2nccnc12
InChIInChI=1S/C14H10Cl2N6O/c1-7(23)20-12-10(3-2-9-11(12)18-5-4-17-9)21-13-8(15)6-19-14(16)22-13/h2-6H,1H3,(H,20,23)(H,19,21,22)
InChIKeyWGXLSSHKRSERFP-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.43
Rot. Bonds3

About N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide

N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide (PubChem CID 165394599) has the molecular formula C14H10Cl2N6O and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide
PubChem CID165394599
Molecular FormulaC14H10Cl2N6O
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC NameN-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide
SMILESCC(=O)Nc1c(Nc2nc(Cl)ncc2Cl)ccc2nccnc12
InChIInChI=1S/C14H10Cl2N6O/c1-7(23)20-12-10(3-2-9-11(12)18-5-4-17-9)21-13-8(15)6-19-14(16)22-13/h2-6H,1H3,(H,20,23)(H,19,21,22)
InChIKeyWGXLSSHKRSERFP-UHFFFAOYSA-N
XLogP3.43
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
CID 168806412
6-N-(2,5-dichloropyrimidin-4-yl)quinoxaline-5,6-diamine;quinoxaline-5,6-diamine;2,4,5-trichloropyrimidine
CID 167646336
6-N-(5-bromo-2-chloropyrimidin-4-yl)-5-N-methylsulfanylquinoxaline-5,6-diamine;methane
CID 165394607
methyl N-[6-[[5-chloro-2-(2-methoxy-4-piperidin-4-ylanilino)pyrimidin-4-yl]amino]quinoxalin-5-yl]carbamate
CID 165394543
4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86633984
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide
CID 86634004
N-[6-[[2-[4-(1-acetylpiperidin-4-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]quinoxalin-5-yl]methanesulfonamide
CID 165394577
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
3-N-(2,5-dichloropyrimidin-4-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 87330243

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide?
The IUPAC name of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide (CID 165394599) is N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide.
What is the SMILES notation for N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide?
The canonical SMILES for N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide is CC(=O)Nc1c(Nc2nc(Cl)ncc2Cl)ccc2nccnc12.
What is the InChIKey of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide?
The InChIKey is WGXLSSHKRSERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6O/c1-7(23)20-12-10(3-2-9-11(12)18-5-4-17-9)21-13-8(15)6-19-14(16)22-13/h2-6H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide?
N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide has a molecular weight of 349.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,5-dichloropyrimidin-4-yl)amino]quinoxalin-5-yl]acetamide is sourced from PubChem (CID 165394599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).