N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

C18H17N7O4S — CID 158350996

IUPACN-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cnc(N)nc3)cnc2N)cc1
InChIInChI=1S/C18H17N7O4S/c1-10(26)25-30(28,29)13-4-2-11(3-5-13)6-15(27)16-17(19)21-9-14(24-16)12-7-22-18(20)23-8-12/h2-5,7-9H,6H2,1H3,(H2,19,21)(H,25,26)(H2,20,22,23)
InChIKeyWNAOQIAKGWCKJN-UHFFFAOYSA-N
MW427.45 g/mol
LogP0.35
Rot. Bonds6

About N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 158350996) has the molecular formula C18H17N7O4S and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID158350996
Molecular FormulaC18H17N7O4S
Molecular Weight427.45 g/mol
Exact Mass427.11
IUPAC NameN-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cnc(N)nc3)cnc2N)cc1
InChIInChI=1S/C18H17N7O4S/c1-10(26)25-30(28,29)13-4-2-11(3-5-13)6-15(27)16-17(19)21-9-14(24-16)12-7-22-18(20)23-8-12/h2-5,7-9H,6H2,1H3,(H2,19,21)(H,25,26)(H2,20,22,23)
InChIKeyWNAOQIAKGWCKJN-UHFFFAOYSA-N
XLogP0.35
TPSA183.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

Azd2858
CID 10138980
3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide
CID 10254786
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 56603751
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-6-[2-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118014
3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10138033
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,2,4-thiadiazol-5-yl)pyrazine-2-carboxamide
CID 71453604
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
CID 10113102
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 158350996) is N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cnc(N)nc3)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is WNAOQIAKGWCKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O4S/c1-10(26)25-30(28,29)13-4-2-11(3-5-13)6-15(27)16-17(19)21-9-14(24-16)12-7-22-18(20)23-8-12/h2-5,7-9H,6H2,1H3,(H2,19,21)(H,25,26)(H2,20,22,23).
What are the key properties of N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 427.45 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-(2-aminopyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 158350996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).